REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1g38_1_A DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTGYRFVGV DATA SEQUENCE EIDPKALDLP PWAEGILADF LLWEPGEAFD LILGNPPYGI VGEASKYPIH DATA SEQUENCE VFKAVKDLYK KAFSTWKGKY NLYGAFLEKA VRLLKPGGVL VFVVPATWLV DATA SEQUENCE LEDFALLREF LAREGKTSVY YLGEVFPQKK VSAVVIRFQK SGKGLSLWDT DATA SEQUENCE QESESGFTPI LWAEYPHWEG EIIRFETEET RKLEISGMPL GDLFHIRFAA DATA SEQUENCE RSPEFKKHPA VRKEPGPGLV PVLTGRNLKP GWVDYEKNHS GLWMPKERAK DATA SEQUENCE ELRDFYATPH LVVAHTKGTR VVAAWDERAY PWREEFHLLP KEGVRLDPSS DATA SEQUENCE LVQWLNSEAM QKHVRTLYRD FVPHLTLRML ERLPVRREYG FHT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.040 176.094 -0.090 0.000 1.182 21 V CA 0.000 62.213 62.300 -0.146 0.000 1.235 21 V CB 0.000 31.670 31.823 -0.255 0.000 1.184 22 E N 2.016 122.197 120.200 -0.031 0.000 2.343 22 E HA 0.783 5.133 4.350 0.000 0.000 0.270 22 E C -1.178 175.500 176.600 0.130 0.000 0.895 22 E CA -0.914 55.509 56.400 0.038 0.000 0.767 22 E CB 2.617 32.345 29.700 0.047 0.000 1.248 22 E HN 0.394 nan 8.360 nan 0.000 0.440 23 T N 3.009 117.648 114.554 0.141 0.000 2.749 23 T HA 0.336 4.686 4.350 0.000 0.000 0.287 23 T C -2.401 172.356 174.700 0.094 0.000 0.970 23 T CA -1.342 60.903 62.100 0.242 0.000 0.980 23 T CB 1.009 70.019 68.868 0.237 0.000 0.924 23 T HN 0.326 nan 8.240 nan 0.000 0.456 24 P HA 0.072 nan 4.420 nan 0.000 0.264 24 P C -1.861 175.443 177.300 0.006 0.000 1.183 24 P CA -1.051 62.059 63.100 0.018 0.000 0.763 24 P CB 0.169 31.857 31.700 -0.021 0.000 0.807 25 P HA -0.251 nan 4.420 nan 0.000 0.216 25 P C 1.410 178.725 177.300 0.025 0.000 1.157 25 P CA 1.608 64.699 63.100 -0.015 0.000 0.880 25 P CB -0.180 31.510 31.700 -0.017 0.000 0.791 26 E N -0.459 119.777 120.200 0.060 0.000 2.204 26 E HA -0.103 4.247 4.350 0.000 0.000 0.195 26 E C 1.970 178.757 176.600 0.312 0.000 0.990 26 E CA 1.136 57.618 56.400 0.137 0.000 0.821 26 E CB -1.504 28.218 29.700 0.037 0.000 0.750 26 E HN 0.133 nan 8.360 nan 0.000 0.477 27 V N 1.566 121.619 119.914 0.233 0.000 2.323 27 V HA -0.192 3.928 4.120 0.000 0.000 0.244 27 V C 2.681 178.887 176.094 0.186 0.000 1.041 27 V CA 1.363 63.764 62.300 0.167 0.000 1.025 27 V CB -0.315 31.501 31.823 -0.011 0.000 0.656 27 V HN 0.094 nan 8.190 nan 0.000 0.451 28 V N 0.256 120.217 119.914 0.078 0.000 2.295 28 V HA -0.273 3.847 4.120 0.000 0.000 0.246 28 V C 2.312 178.450 176.094 0.073 0.000 1.049 28 V CA 2.235 64.524 62.300 -0.018 0.000 1.024 28 V CB -0.765 30.861 31.823 -0.328 0.000 0.648 28 V HN 0.542 nan 8.190 nan 0.000 0.447 29 D N -0.343 120.105 120.400 0.080 0.000 2.104 29 D HA -0.198 4.442 4.640 0.000 0.000 0.194 29 D C 1.906 178.296 176.300 0.149 0.000 0.994 29 D CA 1.479 55.536 54.000 0.095 0.000 0.830 29 D CB -0.396 40.454 40.800 0.084 0.000 0.959 29 D HN 0.447 nan 8.370 nan 0.000 0.452 30 F N 1.135 121.128 119.950 0.072 0.000 2.095 30 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 30 F C 2.339 178.127 175.800 -0.019 0.000 1.104 30 F CA 1.316 59.337 58.000 0.036 0.000 1.232 30 F CB -0.445 38.591 39.000 0.059 0.000 0.987 30 F HN -0.135 nan 8.300 nan 0.000 0.475 31 M N -0.689 118.806 119.600 -0.174 0.000 2.159 31 M HA -0.182 4.298 4.480 0.000 0.000 0.263 31 M C 2.048 178.299 176.300 -0.081 0.000 1.063 31 M CA 1.420 56.583 55.300 -0.229 0.000 1.110 31 M CB -0.543 32.120 32.600 0.104 0.000 1.374 31 M HN 0.025 nan 8.290 nan 0.000 0.411 32 V N 0.188 120.150 119.914 0.080 0.000 2.490 32 V HA -0.221 3.899 4.120 0.000 0.000 0.250 32 V C 2.453 178.637 176.094 0.149 0.000 1.061 32 V CA 2.056 64.478 62.300 0.204 0.000 1.064 32 V CB -0.866 31.087 31.823 0.216 0.000 0.670 32 V HN 0.626 nan 8.190 nan 0.000 0.461 33 S N -0.407 115.293 115.700 -0.000 0.000 2.474 33 S HA -0.007 4.463 4.470 0.000 0.000 0.235 33 S C 1.651 176.196 174.600 -0.092 0.000 0.997 33 S CA 1.081 59.267 58.200 -0.023 0.000 0.949 33 S CB -0.365 62.815 63.200 -0.032 0.000 0.766 33 S HN 0.570 nan 8.310 nan 0.000 0.517 34 L N 0.622 121.716 121.223 -0.215 0.000 2.554 34 L HA 0.443 4.783 4.340 0.000 0.000 0.225 34 L C 1.297 178.110 176.870 -0.094 0.000 1.104 34 L CA 0.024 54.712 54.840 -0.254 0.000 0.866 34 L CB -0.286 41.459 42.059 -0.523 0.000 1.047 34 L HN 0.333 nan 8.230 nan 0.000 0.468 35 A N 0.765 123.591 122.820 0.011 0.000 2.322 35 A HA 0.567 4.887 4.320 0.000 0.000 0.269 35 A C -0.212 177.416 177.584 0.073 0.000 1.094 35 A CA -0.034 52.036 52.037 0.055 0.000 0.807 35 A CB 0.491 19.572 19.000 0.135 0.000 1.047 35 A HN 0.266 nan 8.150 nan 0.000 0.487 36 E N -0.823 119.386 120.200 0.016 0.000 2.366 36 E HA 0.635 4.985 4.350 0.000 0.000 0.278 36 E C -1.123 175.481 176.600 0.007 0.000 0.923 36 E CA -0.715 55.694 56.400 0.014 0.000 0.761 36 E CB 2.417 32.130 29.700 0.020 0.000 1.231 36 E HN 1.032 nan 8.360 nan 0.000 0.443 37 A N 2.187 125.056 122.820 0.083 0.000 2.594 37 A HA 0.640 4.960 4.320 0.000 0.000 0.296 37 A C -2.773 174.958 177.584 0.246 0.000 1.061 37 A CA -1.152 50.954 52.037 0.115 0.000 0.689 37 A CB 1.249 20.260 19.000 0.019 0.000 1.280 37 A HN 0.416 nan 8.150 nan 0.000 0.406 38 P HA 0.311 nan 4.420 nan 0.000 0.276 38 P C -0.313 177.071 177.300 0.141 0.000 1.244 38 P CA -0.548 62.633 63.100 0.136 0.000 0.801 38 P CB 0.694 32.435 31.700 0.068 0.000 1.006 39 R N 0.676 121.185 120.500 0.016 0.000 2.537 39 R HA 0.188 4.528 4.340 0.000 0.000 0.281 39 R C 1.158 177.383 176.300 -0.124 0.000 0.988 39 R CA 1.321 57.326 56.100 -0.159 0.000 1.077 39 R CB -0.860 29.363 30.300 -0.128 0.000 0.932 39 R HN 0.865 nan 8.270 nan 0.000 0.409 40 G N 2.544 111.214 108.800 -0.217 0.000 2.155 40 G HA2 -0.263 3.697 3.960 0.000 0.000 0.257 40 G HA3 -0.263 3.697 3.960 0.000 0.000 0.257 40 G C 0.367 175.264 174.900 -0.006 0.000 0.983 40 G CA 0.097 45.138 45.100 -0.098 0.000 0.676 40 G HN 0.972 nan 8.290 nan 0.000 0.528 41 G N -0.717 108.134 108.800 0.085 0.000 2.606 41 G HA2 0.523 4.484 3.960 0.000 0.000 0.252 41 G HA3 0.523 4.484 3.960 0.000 0.000 0.252 41 G C 0.175 175.123 174.900 0.080 0.000 1.206 41 G CA -0.668 44.493 45.100 0.101 0.000 0.861 41 G HN 0.521 nan 8.290 nan 0.000 0.561 42 R N -0.263 120.267 120.500 0.050 0.000 2.202 42 R HA 0.392 4.732 4.340 0.000 0.000 0.334 42 R C -0.723 175.706 176.300 0.214 0.000 1.036 42 R CA -0.398 55.761 56.100 0.098 0.000 0.878 42 R CB 1.508 31.772 30.300 -0.061 0.000 1.067 42 R HN 0.219 nan 8.270 nan 0.000 0.457 43 V N 5.203 125.189 119.914 0.119 0.000 2.459 43 V HA 0.417 4.537 4.120 0.000 0.000 0.295 43 V C -0.649 175.523 176.094 0.131 0.000 1.029 43 V CA -0.870 61.426 62.300 -0.006 0.000 0.874 43 V CB 1.614 33.247 31.823 -0.317 0.000 0.985 43 V HN 0.495 nan 8.190 nan 0.000 0.438 44 L N 3.710 124.918 121.223 -0.024 0.000 2.381 44 L HA 0.667 5.007 4.340 0.000 0.000 0.268 44 L C -0.545 176.248 176.870 -0.128 0.000 0.997 44 L CA -0.091 54.653 54.840 -0.161 0.000 0.818 44 L CB 2.085 43.724 42.059 -0.701 0.000 1.310 44 L HN 0.784 nan 8.230 nan 0.000 0.416 45 E N 6.239 126.372 120.200 -0.112 0.000 2.207 45 E HA 0.458 4.809 4.350 0.000 0.000 0.250 45 E C -2.661 173.782 176.600 -0.262 0.000 0.890 45 E CA -2.157 54.158 56.400 -0.141 0.000 0.749 45 E CB 1.549 31.232 29.700 -0.029 0.000 1.193 45 E HN 0.406 nan 8.360 nan 0.000 0.423 46 P HA 0.110 nan 4.420 nan 0.000 0.277 46 P C -0.404 176.667 177.300 -0.381 0.000 1.240 46 P CA 0.152 62.864 63.100 -0.647 0.000 0.798 46 P CB 1.290 32.112 31.700 -1.463 0.000 0.979 47 A N 1.497 124.182 122.820 -0.226 0.000 2.640 47 A HA -0.246 4.074 4.320 0.000 0.000 0.300 47 A C 1.473 178.946 177.584 -0.184 0.000 1.499 47 A CA 0.960 52.907 52.037 -0.149 0.000 0.759 47 A CB -2.483 16.385 19.000 -0.220 0.000 1.048 47 A HN 0.790 nan 8.150 nan 0.000 0.450 48 C N -2.698 116.504 119.300 -0.163 0.000 2.457 48 C HA 0.406 4.867 4.460 0.000 0.000 0.278 48 C C 2.366 177.275 174.990 -0.135 0.000 1.309 48 C CA 0.957 59.892 59.018 -0.139 0.000 1.735 48 C CB -1.248 26.418 27.740 -0.123 0.000 1.992 48 C HN 2.695 nan 8.230 nan 0.000 0.493 49 A N 2.104 124.868 122.820 -0.094 0.000 5.195 49 A HA -0.388 3.932 4.320 0.000 0.000 0.310 49 A C 1.349 178.918 177.584 -0.024 0.000 1.951 49 A CA 2.448 54.462 52.037 -0.039 0.000 0.714 49 A CB -2.543 16.459 19.000 0.004 0.000 1.301 49 A HN 1.473 nan 8.150 nan 0.000 0.369 50 H N 0.335 119.369 119.070 -0.060 0.000 2.539 50 H HA 0.471 5.027 4.556 -0.000 0.000 0.267 50 H C 1.220 176.508 175.328 -0.067 0.000 0.982 50 H CA 0.993 56.999 56.048 -0.070 0.000 1.146 50 H CB -0.484 29.239 29.762 -0.065 0.000 1.382 50 H HN 2.417 nan 8.280 nan 0.000 0.577 51 G N 1.446 110.023 108.800 -0.372 0.000 2.417 51 G HA2 -0.206 3.755 3.960 0.000 0.000 0.291 51 G HA3 -0.206 3.755 3.960 0.000 0.000 0.291 51 G C -1.812 172.935 174.900 -0.255 0.000 1.094 51 G CA -0.006 44.954 45.100 -0.233 0.000 1.146 51 G HN 0.420 nan 8.290 nan 0.000 0.519 52 P HA -0.004 nan 4.420 nan 0.000 0.217 52 P C 1.732 178.877 177.300 -0.258 0.000 1.151 52 P CA 0.776 63.672 63.100 -0.340 0.000 0.828 52 P CB -0.003 31.435 31.700 -0.436 0.000 0.788 53 F N -0.954 118.964 119.950 -0.054 0.000 2.163 53 F HA -0.058 4.469 4.527 -0.000 0.000 0.297 53 F C 2.237 178.101 175.800 0.106 0.000 1.094 53 F CA 1.052 59.067 58.000 0.026 0.000 1.290 53 F CB -1.236 37.760 39.000 -0.007 0.000 1.017 53 F HN -0.232 nan 8.300 nan 0.000 0.483 54 L N -0.397 120.982 121.223 0.261 0.000 2.046 54 L HA -0.191 4.149 4.340 0.000 0.000 0.208 54 L C 2.499 179.490 176.870 0.201 0.000 1.077 54 L CA 1.340 56.347 54.840 0.279 0.000 0.747 54 L CB -0.661 41.567 42.059 0.282 0.000 0.896 54 L HN 0.051 nan 8.230 nan 0.000 0.432 55 R N 0.157 120.784 120.500 0.212 0.000 2.073 55 R HA -0.123 4.217 4.340 0.000 0.000 0.234 55 R C 2.484 178.826 176.300 0.071 0.000 1.134 55 R CA 1.412 57.632 56.100 0.200 0.000 0.952 55 R CB -0.560 29.840 30.300 0.165 0.000 0.850 55 R HN 0.346 nan 8.270 nan 0.000 0.433 56 A N 0.572 123.431 122.820 0.066 0.000 1.930 56 A HA -0.170 4.150 4.320 0.000 0.000 0.217 56 A C 1.967 179.617 177.584 0.111 0.000 1.175 56 A CA 1.010 53.075 52.037 0.046 0.000 0.627 56 A CB -0.562 18.436 19.000 -0.004 0.000 0.815 56 A HN 0.346 nan 8.150 nan 0.000 0.443 57 F N 0.370 120.369 119.950 0.082 0.000 2.146 57 F HA -0.094 4.433 4.527 0.000 0.000 0.298 57 F C 2.359 178.252 175.800 0.156 0.000 1.096 57 F CA 1.875 59.981 58.000 0.178 0.000 1.275 57 F CB -0.198 38.925 39.000 0.206 0.000 1.008 57 F HN 0.191 nan 8.300 nan 0.000 0.480 58 R N 0.271 120.834 120.500 0.105 0.000 2.081 58 R HA -0.148 4.192 4.340 0.000 0.000 0.235 58 R C 2.094 178.310 176.300 -0.141 0.000 1.131 58 R CA 1.684 57.722 56.100 -0.103 0.000 0.960 58 R CB -0.270 29.574 30.300 -0.760 0.000 0.856 58 R HN 0.221 nan 8.270 nan 0.000 0.436 59 E N -0.151 119.969 120.200 -0.134 0.000 2.204 59 E HA -0.124 4.226 4.350 0.000 0.000 0.194 59 E C 1.621 178.134 176.600 -0.145 0.000 0.989 59 E CA 1.197 57.526 56.400 -0.118 0.000 0.824 59 E CB 0.076 29.730 29.700 -0.076 0.000 0.756 59 E HN 0.474 nan 8.360 nan 0.000 0.477 60 A N -0.018 122.678 122.820 -0.207 0.000 1.956 60 A HA -0.030 4.290 4.320 0.000 0.000 0.212 60 A C 1.313 178.567 177.584 -0.550 0.000 1.188 60 A CA 0.746 52.561 52.037 -0.371 0.000 0.675 60 A CB -0.261 18.475 19.000 -0.440 0.000 0.845 60 A HN 0.185 nan 8.150 nan 0.000 0.455 61 H N -1.542 117.326 119.070 -0.338 0.000 2.652 61 H HA 0.449 5.005 4.556 -0.000 0.000 0.274 61 H C 1.023 176.380 175.328 0.048 0.000 1.021 61 H CA 0.431 56.329 56.048 -0.250 0.000 1.187 61 H CB 0.722 30.085 29.762 -0.664 0.000 1.505 61 H HN 0.747 nan 8.280 nan 0.000 0.530 62 G N 0.053 108.926 108.800 0.122 0.000 2.483 62 G HA2 -0.231 3.729 3.960 0.000 0.000 0.521 62 G HA3 -0.231 3.729 3.960 0.000 0.000 0.521 62 G C 0.734 175.790 174.900 0.260 0.000 1.278 62 G CA -0.112 45.074 45.100 0.143 0.000 0.965 62 G HN 0.331 nan 8.290 nan 0.000 0.504 63 T N -2.540 112.106 114.554 0.153 0.000 3.054 63 T HA 0.463 4.813 4.350 0.000 0.000 0.255 63 T C 1.611 176.417 174.700 0.177 0.000 1.035 63 T CA 1.343 63.567 62.100 0.206 0.000 0.941 63 T CB 0.673 69.554 68.868 0.020 0.000 1.026 63 T HN 1.946 nan 8.240 nan 0.000 0.533 64 G N 1.144 109.899 108.800 -0.075 0.000 3.284 64 G HA2 0.464 4.424 3.960 0.000 0.000 0.251 64 G HA3 0.464 4.424 3.960 0.000 0.000 0.251 64 G C -1.006 173.493 174.900 -0.669 0.000 0.913 64 G CA -0.252 44.652 45.100 -0.326 0.000 1.947 64 G HN 0.526 nan 8.290 nan 0.000 0.635 65 Y N -1.762 118.497 120.300 -0.069 0.000 2.638 65 Y HA 0.481 5.032 4.550 0.001 0.000 0.335 65 Y C 0.070 175.758 175.900 -0.353 0.000 1.155 65 Y CA -1.439 56.487 58.100 -0.290 0.000 1.046 65 Y CB 1.702 39.812 38.460 -0.583 0.000 1.303 65 Y HN 0.075 nan 8.280 nan 0.000 0.460 66 R N 1.895 122.324 120.500 -0.118 0.000 2.233 66 R HA 0.474 4.814 4.340 0.000 0.000 0.334 66 R C -1.890 174.405 176.300 -0.009 0.000 1.037 66 R CA -0.349 55.754 56.100 0.005 0.000 0.920 66 R CB -0.035 30.304 30.300 0.064 0.000 1.137 66 R HN 0.505 nan 8.270 nan 0.000 0.492 67 F N 3.961 124.111 119.950 0.335 0.000 2.420 67 F HA 0.288 4.815 4.527 -0.000 0.000 0.352 67 F C 0.112 176.087 175.800 0.292 0.000 1.108 67 F CA -0.381 57.825 58.000 0.342 0.000 1.162 67 F CB 1.432 40.734 39.000 0.503 0.000 1.118 67 F HN 0.060 nan 8.300 nan 0.000 0.510 68 V N 2.145 122.309 119.914 0.416 0.000 2.735 68 V HA 0.877 4.997 4.120 0.000 0.000 0.310 68 V C 0.046 176.221 176.094 0.134 0.000 1.061 68 V CA -0.908 61.571 62.300 0.299 0.000 0.913 68 V CB 1.862 33.950 31.823 0.441 0.000 1.005 68 V HN 0.883 nan 8.190 nan 0.000 0.428 69 G N 1.828 110.651 108.800 0.038 0.000 2.591 69 G HA2 0.662 4.622 3.960 0.000 0.000 0.306 69 G HA3 0.662 4.622 3.960 0.000 0.000 0.306 69 G C -1.653 173.141 174.900 -0.177 0.000 1.334 69 G CA -0.571 44.486 45.100 -0.072 0.000 0.981 69 G HN 0.554 nan 8.290 nan 0.000 0.491 70 V N 1.394 121.150 119.914 -0.262 0.000 2.444 70 V HA 0.638 4.758 4.120 0.000 0.000 0.294 70 V C -0.610 175.368 176.094 -0.195 0.000 1.022 70 V CA -0.643 61.456 62.300 -0.335 0.000 0.850 70 V CB 1.503 33.008 31.823 -0.530 0.000 0.992 70 V HN 0.879 nan 8.190 nan 0.000 0.426 71 E N 3.379 123.495 120.200 -0.139 0.000 2.314 71 E HA 0.472 4.822 4.350 0.000 0.000 0.272 71 E C -0.158 176.422 176.600 -0.033 0.000 0.884 71 E CA -0.533 55.824 56.400 -0.070 0.000 0.753 71 E CB 2.100 31.761 29.700 -0.066 0.000 1.213 71 E HN 0.510 nan 8.360 nan 0.000 0.432 72 I N 1.672 122.249 120.570 0.011 0.000 3.035 72 I HA 0.166 4.336 4.170 0.000 0.000 0.271 72 I C -0.101 176.031 176.117 0.025 0.000 1.190 72 I CA 0.315 61.636 61.300 0.037 0.000 1.472 72 I CB 0.536 38.588 38.000 0.087 0.000 1.116 72 I HN 0.457 nan 8.210 nan 0.000 0.443 73 D N 1.643 122.049 120.400 0.010 0.000 2.359 73 D HA 0.161 4.801 4.640 0.000 0.000 0.230 73 D C -1.577 174.721 176.300 -0.003 0.000 1.118 73 D CA -2.707 51.295 54.000 0.004 0.000 0.844 73 D CB 1.409 42.207 40.800 -0.003 0.000 1.059 73 D HN 0.074 nan 8.370 nan 0.000 0.493 74 P HA -0.181 nan 4.420 nan 0.000 0.218 74 P C 0.771 178.066 177.300 -0.007 0.000 1.148 74 P CA 1.073 64.171 63.100 -0.003 0.000 0.822 74 P CB 0.431 32.133 31.700 0.003 0.000 0.784 75 K N -0.386 120.010 120.400 -0.006 0.000 2.283 75 K HA 0.034 4.354 4.320 0.000 0.000 0.202 75 K C 2.144 178.737 176.600 -0.012 0.000 1.048 75 K CA 1.159 57.441 56.287 -0.010 0.000 0.948 75 K CB -0.230 32.264 32.500 -0.009 0.000 0.742 75 K HN 0.106 nan 8.250 nan 0.000 0.458 76 A N 0.908 123.721 122.820 -0.011 0.000 2.044 76 A HA 0.054 4.374 4.320 0.000 0.000 0.213 76 A C 0.743 178.324 177.584 -0.006 0.000 1.169 76 A CA -0.178 51.854 52.037 -0.008 0.000 0.724 76 A CB 0.062 19.054 19.000 -0.013 0.000 0.840 76 A HN 0.179 nan 8.150 nan 0.000 0.463 77 L N 1.388 122.601 121.223 -0.018 0.000 2.500 77 L HA 0.355 4.695 4.340 0.000 0.000 0.272 77 L C -0.972 175.883 176.870 -0.025 0.000 1.149 77 L CA 0.527 55.350 54.840 -0.028 0.000 0.897 77 L CB 0.079 42.117 42.059 -0.034 0.000 1.178 77 L HN 0.215 nan 8.230 nan 0.000 0.473 78 D N 4.531 124.917 120.400 -0.024 0.000 2.934 78 D HA 0.258 4.898 4.640 0.000 0.000 0.249 78 D C -1.157 175.109 176.300 -0.057 0.000 1.293 78 D CA -0.208 53.773 54.000 -0.031 0.000 0.812 78 D CB 0.073 40.868 40.800 -0.008 0.000 1.439 78 D HN 0.431 nan 8.370 nan 0.000 0.555 79 L N 1.411 122.564 121.223 -0.117 0.000 2.375 79 L HA 0.666 5.006 4.340 0.000 0.000 0.268 79 L C -1.673 174.998 176.870 -0.331 0.000 1.058 79 L CA -1.840 52.866 54.840 -0.224 0.000 0.803 79 L CB 0.941 42.862 42.059 -0.230 0.000 1.212 79 L HN 0.126 nan 8.230 nan 0.000 0.451 80 P HA 0.115 nan 4.420 nan 0.000 0.272 80 P C -2.029 174.876 177.300 -0.658 0.000 1.240 80 P CA -1.048 61.620 63.100 -0.720 0.000 0.791 80 P CB 0.075 30.980 31.700 -1.325 0.000 0.978 81 P HA -0.133 nan 4.420 nan 0.000 0.225 81 P C 0.861 178.127 177.300 -0.058 0.000 1.148 81 P CA 1.477 64.480 63.100 -0.162 0.000 0.779 81 P CB -0.203 31.473 31.700 -0.040 0.000 0.780 82 W N -0.333 121.006 121.300 0.065 0.000 3.180 82 W HA 0.544 5.204 4.660 -0.000 0.000 0.254 82 W C -0.040 176.579 176.519 0.166 0.000 1.318 82 W CA -0.345 57.065 57.345 0.108 0.000 1.608 82 W CB -0.507 29.012 29.460 0.099 0.000 1.124 82 W HN -0.116 nan 8.180 nan 0.000 0.694 83 A N 1.443 124.289 122.820 0.043 0.000 2.337 83 A HA 0.443 4.763 4.320 0.000 0.000 0.331 83 A C -0.777 176.866 177.584 0.098 0.000 1.137 83 A CA -0.697 51.442 52.037 0.170 0.000 0.807 83 A CB 1.476 20.398 19.000 -0.131 0.000 1.250 83 A HN 0.195 nan 8.150 nan 0.000 0.468 84 E N 1.107 121.413 120.200 0.177 0.000 2.115 84 E HA 0.458 4.808 4.350 0.000 0.000 0.282 84 E C 0.083 176.729 176.600 0.076 0.000 0.987 84 E CA -0.356 56.123 56.400 0.132 0.000 0.797 84 E CB 0.925 30.739 29.700 0.190 0.000 1.086 84 E HN 0.772 nan 8.360 nan 0.000 0.397 85 G N 4.822 113.636 108.800 0.025 0.000 2.338 85 G HA2 0.502 4.462 3.960 0.000 0.000 0.298 85 G HA3 0.502 4.462 3.960 0.000 0.000 0.298 85 G C -0.455 174.438 174.900 -0.011 0.000 1.140 85 G CA -0.469 44.622 45.100 -0.015 0.000 0.860 85 G HN 0.544 nan 8.290 nan 0.000 0.470 86 I N 2.260 122.791 120.570 -0.065 0.000 2.447 86 I HA 0.229 4.399 4.170 0.000 0.000 0.287 86 I C -0.340 175.704 176.117 -0.122 0.000 1.023 86 I CA -0.587 60.662 61.300 -0.085 0.000 1.083 86 I CB 2.243 40.141 38.000 -0.170 0.000 1.245 86 I HN 0.152 nan 8.210 nan 0.000 0.434 87 L N 6.838 128.029 121.223 -0.053 0.000 2.295 87 L HA 0.711 5.051 4.340 0.000 0.000 0.288 87 L C 0.158 177.013 176.870 -0.025 0.000 1.079 87 L CA 0.075 54.893 54.840 -0.036 0.000 0.830 87 L CB 0.557 42.615 42.059 -0.002 0.000 1.200 87 L HN 0.790 nan 8.230 nan 0.000 0.438 88 A N 2.607 125.398 122.820 -0.047 0.000 2.567 88 A HA 0.321 4.641 4.320 0.000 0.000 0.291 88 A C -1.617 175.995 177.584 0.046 0.000 1.048 88 A CA -0.752 51.288 52.037 0.005 0.000 0.661 88 A CB 1.232 20.222 19.000 -0.017 0.000 1.288 88 A HN 0.482 nan 8.150 nan 0.000 0.424 89 D N 0.754 121.230 120.400 0.127 0.000 2.338 89 D HA 0.214 4.854 4.640 0.000 0.000 0.255 89 D C 0.836 177.258 176.300 0.202 0.000 1.237 89 D CA -0.232 53.882 54.000 0.191 0.000 0.883 89 D CB 0.244 41.186 40.800 0.237 0.000 1.087 89 D HN 0.419 nan 8.370 nan 0.000 0.485 90 F N 4.516 124.472 119.950 0.011 0.000 2.120 90 F HA -0.204 4.322 4.527 -0.002 0.000 0.300 90 F C 1.707 177.506 175.800 -0.002 0.000 1.095 90 F CA 1.399 59.373 58.000 -0.043 0.000 1.249 90 F CB -0.105 38.780 39.000 -0.191 0.000 0.995 90 F HN 0.470 nan 8.300 nan 0.000 0.480 91 L N -0.299 120.809 121.223 -0.192 0.000 2.265 91 L HA -0.167 4.174 4.340 0.000 0.000 0.215 91 L C 1.600 178.494 176.870 0.039 0.000 1.117 91 L CA 0.863 55.629 54.840 -0.123 0.000 0.782 91 L CB -0.557 41.418 42.059 -0.139 0.000 0.914 91 L HN 0.227 nan 8.230 nan 0.000 0.441 92 L N -2.367 118.919 121.223 0.104 0.000 2.857 92 L HA 0.148 4.488 4.340 0.000 0.000 0.249 92 L C 0.098 177.037 176.870 0.116 0.000 1.172 92 L CA -0.601 54.291 54.840 0.087 0.000 0.980 92 L CB 0.067 42.212 42.059 0.145 0.000 1.299 92 L HN 0.201 nan 8.230 nan 0.000 0.535 93 W N 2.636 123.871 121.300 -0.108 0.000 2.253 93 W HA 0.188 4.848 4.660 -0.001 0.000 0.322 93 W C 0.203 176.682 176.519 -0.067 0.000 1.342 93 W CA -0.053 57.255 57.345 -0.063 0.000 1.218 93 W CB 0.699 30.134 29.460 -0.041 0.000 1.205 93 W HN -0.096 nan 8.180 nan 0.000 0.551 94 E N 7.881 127.850 120.200 -0.385 0.000 2.489 94 E HA 0.223 4.573 4.350 0.000 0.000 0.232 94 E C -1.985 174.219 176.600 -0.659 0.000 0.990 94 E CA -1.662 54.457 56.400 -0.468 0.000 0.768 94 E CB 0.464 30.038 29.700 -0.210 0.000 1.270 94 E HN 0.368 nan 8.360 nan 0.000 0.423 95 P HA 0.156 nan 4.420 nan 0.000 0.274 95 P C 0.868 177.965 177.300 -0.338 0.000 1.256 95 P CA -0.284 62.371 63.100 -0.742 0.000 0.795 95 P CB 1.137 32.264 31.700 -0.956 0.000 1.038 96 G N -0.505 108.178 108.800 -0.195 0.000 2.453 96 G HA2 -0.047 3.913 3.960 0.000 0.000 0.215 96 G HA3 -0.047 3.913 3.960 0.000 0.000 0.215 96 G C 0.508 175.316 174.900 -0.153 0.000 1.147 96 G CA 0.361 45.379 45.100 -0.137 0.000 0.802 96 G HN 0.649 nan 8.290 nan 0.000 0.535 97 E N -0.607 119.469 120.200 -0.207 0.000 2.312 97 E HA 0.622 4.972 4.350 0.000 0.000 0.267 97 E C -0.482 175.912 176.600 -0.345 0.000 0.894 97 E CA -0.929 55.326 56.400 -0.242 0.000 0.773 97 E CB 2.147 31.697 29.700 -0.251 0.000 1.241 97 E HN 0.132 nan 8.360 nan 0.000 0.432 98 A N 1.913 124.589 122.820 -0.239 0.000 2.259 98 A HA 0.570 4.890 4.320 0.000 0.000 0.278 98 A C -0.970 176.439 177.584 -0.292 0.000 1.107 98 A CA -0.183 51.782 52.037 -0.120 0.000 0.828 98 A CB 0.223 19.220 19.000 -0.005 0.000 1.111 98 A HN 0.459 nan 8.150 nan 0.000 0.498 99 F N -1.326 118.651 119.950 0.046 0.000 2.556 99 F HA 0.393 4.921 4.527 0.001 0.000 0.327 99 F C 0.520 176.335 175.800 0.025 0.000 1.059 99 F CA -0.425 57.605 58.000 0.050 0.000 0.953 99 F CB 1.851 40.905 39.000 0.090 0.000 1.227 99 F HN 0.664 nan 8.300 nan 0.000 0.478 100 D N 0.315 120.821 120.400 0.178 0.000 2.271 100 D HA 0.120 4.760 4.640 0.000 0.000 0.206 100 D C -0.559 175.773 176.300 0.052 0.000 0.967 100 D CA 0.851 54.901 54.000 0.085 0.000 0.867 100 D CB 0.503 41.334 40.800 0.051 0.000 0.960 100 D HN 0.135 nan 8.370 nan 0.000 0.509 101 L N 0.560 121.810 121.223 0.045 0.000 2.464 101 L HA 0.483 4.823 4.340 0.000 0.000 0.266 101 L C -2.010 174.823 176.870 -0.062 0.000 0.965 101 L CA -0.592 54.206 54.840 -0.070 0.000 0.833 101 L CB 1.852 43.751 42.059 -0.267 0.000 1.296 101 L HN -0.152 nan 8.230 nan 0.000 0.405 102 I N 6.509 127.037 120.570 -0.071 0.000 2.478 102 I HA 0.516 4.686 4.170 0.000 0.000 0.287 102 I C -1.349 174.737 176.117 -0.051 0.000 1.042 102 I CA -0.774 60.486 61.300 -0.066 0.000 1.067 102 I CB 1.750 39.726 38.000 -0.040 0.000 1.233 102 I HN 0.451 nan 8.210 nan 0.000 0.431 103 L N 4.192 125.397 121.223 -0.030 0.000 2.393 103 L HA 1.134 5.474 4.340 0.000 0.000 0.260 103 L C -0.153 176.518 176.870 -0.331 0.000 1.002 103 L CA -0.974 53.829 54.840 -0.062 0.000 0.818 103 L CB 1.096 43.089 42.059 -0.110 0.000 1.369 103 L HN 0.736 nan 8.230 nan 0.000 0.412 104 G N 0.751 109.064 108.800 -0.812 0.000 2.341 104 G HA2 0.278 4.238 3.960 0.000 0.000 0.293 104 G HA3 0.278 4.238 3.960 0.000 0.000 0.293 104 G C -2.107 172.059 174.900 -1.222 0.000 1.298 104 G CA -0.703 43.512 45.100 -1.475 0.000 0.868 104 G HN 0.872 nan 8.290 nan 0.000 0.540 105 N N 1.603 119.805 118.700 -0.829 0.000 2.626 105 N HA 0.558 5.298 4.740 0.000 0.000 0.249 105 N C -2.237 172.897 175.510 -0.627 0.000 1.021 105 N CA -1.595 51.152 53.050 -0.505 0.000 0.886 105 N CB 2.022 40.449 38.487 -0.100 0.000 1.149 105 N HN 0.450 nan 8.380 nan 0.000 0.517 106 P HA 0.304 nan 4.420 nan 0.000 0.274 106 P C -2.811 174.055 177.300 -0.723 0.000 1.231 106 P CA -1.101 61.452 63.100 -0.912 0.000 0.790 106 P CB 0.371 31.535 31.700 -0.894 0.000 0.951 107 P HA 0.112 nan 4.420 nan 0.000 0.275 107 P C -0.972 176.185 177.300 -0.239 0.000 1.227 107 P CA 0.327 63.082 63.100 -0.574 0.000 0.781 107 P CB 0.191 31.627 31.700 -0.439 0.000 0.906 108 Y N 0.733 120.896 120.300 -0.229 0.000 2.457 108 Y HA 0.755 5.304 4.550 -0.001 0.000 0.333 108 Y C 1.223 177.102 175.900 -0.035 0.000 1.119 108 Y CA -1.166 56.885 58.100 -0.081 0.000 1.143 108 Y CB 1.368 39.762 38.460 -0.110 0.000 1.230 108 Y HN 0.804 nan 8.280 nan 0.000 0.469 109 G N 1.003 109.925 108.800 0.204 0.000 2.307 109 G HA2 0.175 4.135 3.960 0.000 0.000 0.348 109 G HA3 0.175 4.135 3.960 0.000 0.000 0.348 109 G C -1.747 173.206 174.900 0.089 0.000 1.603 109 G CA -1.228 43.950 45.100 0.131 0.000 0.961 109 G HN 0.556 nan 8.290 nan 0.000 0.686 110 I N 0.749 121.382 120.570 0.105 0.000 2.474 110 I HA 0.307 4.477 4.170 0.000 0.000 0.287 110 I C 0.723 176.891 176.117 0.085 0.000 1.048 110 I CA -0.798 60.515 61.300 0.021 0.000 1.383 110 I CB 1.595 39.551 38.000 -0.073 0.000 1.412 110 I HN 0.257 nan 8.210 nan 0.000 0.531 111 V N 6.167 126.149 119.914 0.113 0.000 2.408 111 V HA 0.662 4.782 4.120 0.000 0.000 0.267 111 V C 0.618 176.797 176.094 0.141 0.000 1.047 111 V CA 0.144 62.577 62.300 0.221 0.000 0.937 111 V CB 0.279 32.337 31.823 0.391 0.000 0.999 111 V HN 1.020 nan 8.190 nan 0.000 0.472 112 G N 3.581 112.524 108.800 0.239 0.000 2.495 112 G HA2 0.400 4.360 3.960 0.000 0.000 0.294 112 G HA3 0.400 4.360 3.960 0.000 0.000 0.294 112 G C -0.895 174.222 174.900 0.362 0.000 1.397 112 G CA -0.778 44.481 45.100 0.264 0.000 0.790 112 G HN 0.647 nan 8.290 nan 0.000 0.486 113 E N 0.114 120.497 120.200 0.305 0.000 2.608 113 E HA 0.270 4.620 4.350 0.000 0.000 0.259 113 E C 1.603 178.250 176.600 0.079 0.000 0.951 113 E CA 0.536 57.023 56.400 0.145 0.000 0.945 113 E CB 0.903 30.678 29.700 0.125 0.000 0.916 113 E HN 0.765 nan 8.360 nan 0.000 0.477 114 A N 3.728 126.428 122.820 -0.201 0.000 2.076 114 A HA -0.219 4.101 4.320 0.000 0.000 0.220 114 A C 2.103 179.630 177.584 -0.095 0.000 1.160 114 A CA 1.840 53.644 52.037 -0.388 0.000 0.653 114 A CB -0.637 17.884 19.000 -0.798 0.000 0.801 114 A HN 0.749 nan 8.150 nan 0.000 0.455 115 S N -1.613 114.044 115.700 -0.071 0.000 2.481 115 S HA -0.015 4.455 4.470 0.000 0.000 0.231 115 S C 1.507 176.055 174.600 -0.086 0.000 0.996 115 S CA 1.507 59.675 58.200 -0.054 0.000 0.942 115 S CB 0.044 63.221 63.200 -0.039 0.000 0.768 115 S HN 0.481 nan 8.310 nan 0.000 0.520 116 K N -0.722 119.591 120.400 -0.146 0.000 2.550 116 K HA 0.393 4.713 4.320 0.000 0.000 0.205 116 K C -0.795 175.464 176.600 -0.568 0.000 1.429 116 K CA -0.013 56.032 56.287 -0.402 0.000 0.997 116 K CB 0.508 32.647 32.500 -0.603 0.000 1.328 116 K HN 0.453 nan 8.250 nan 0.000 0.546 117 Y N 0.329 120.707 120.300 0.130 0.000 2.549 117 Y HA 0.338 4.865 4.550 -0.039 0.000 0.339 117 Y C -1.795 174.263 175.900 0.264 0.000 1.053 117 Y CA -2.321 55.877 58.100 0.164 0.000 1.105 117 Y CB 1.807 40.362 38.460 0.157 0.000 1.258 117 Y HN -0.123 nan 8.280 nan 0.000 0.478 118 P HA -0.020 nan 4.420 nan 0.000 0.221 118 P C 0.029 177.161 177.300 -0.280 0.000 1.155 118 P CA 1.285 64.435 63.100 0.084 0.000 0.812 118 P CB 0.942 32.674 31.700 0.055 0.000 0.801 119 I N 1.828 122.375 120.570 -0.038 0.000 2.312 119 I HA 0.192 4.362 4.170 0.000 0.000 0.291 119 I C 0.248 176.427 176.117 0.103 0.000 1.031 119 I CA -0.891 60.364 61.300 -0.074 0.000 1.293 119 I CB -0.491 37.568 38.000 0.098 0.000 1.403 119 I HN 0.042 nan 8.210 nan 0.000 0.484 120 H N 5.499 124.623 119.070 0.090 0.000 2.551 120 H HA 0.674 5.228 4.556 -0.004 0.000 0.321 120 H C -0.139 175.189 175.328 0.001 0.000 1.028 120 H CA -0.902 55.177 56.048 0.050 0.000 1.215 120 H CB 1.979 31.753 29.762 0.019 0.000 1.414 120 H HN 0.491 nan 8.280 nan 0.000 0.480 121 V N -0.027 119.953 119.914 0.110 0.000 3.188 121 V HA 0.464 4.584 4.120 0.000 0.000 0.305 121 V C -0.578 175.517 176.094 0.002 0.000 1.232 121 V CA -1.361 60.932 62.300 -0.012 0.000 1.043 121 V CB 1.410 33.258 31.823 0.041 0.000 1.068 121 V HN 0.566 nan 8.190 nan 0.000 0.439 122 F N 1.368 121.324 119.950 0.009 0.000 2.602 122 F HA 0.221 4.747 4.527 -0.000 0.000 0.367 122 F C 1.943 177.715 175.800 -0.047 0.000 1.126 122 F CA 0.690 58.681 58.000 -0.016 0.000 1.321 122 F CB 0.843 39.824 39.000 -0.032 0.000 1.094 122 F HN 0.865 nan 8.300 nan 0.000 0.594 123 K N 2.789 123.301 120.400 0.187 0.000 2.113 123 K HA -0.249 4.071 4.320 0.000 0.000 0.208 123 K C 1.991 178.584 176.600 -0.012 0.000 1.047 123 K CA 1.496 57.819 56.287 0.060 0.000 0.928 123 K CB -0.221 32.305 32.500 0.043 0.000 0.716 123 K HN 0.780 nan 8.250 nan 0.000 0.446 124 A N 0.592 123.406 122.820 -0.010 0.000 1.972 124 A HA -0.101 4.219 4.320 0.000 0.000 0.219 124 A C 2.188 179.700 177.584 -0.119 0.000 1.169 124 A CA 1.628 53.619 52.037 -0.077 0.000 0.635 124 A CB -0.443 18.495 19.000 -0.103 0.000 0.810 124 A HN 0.198 nan 8.150 nan 0.000 0.446 125 V N -0.080 119.775 119.914 -0.099 0.000 2.379 125 V HA -0.205 3.915 4.120 0.000 0.000 0.245 125 V C 2.478 178.250 176.094 -0.535 0.000 1.044 125 V CA 2.173 64.308 62.300 -0.275 0.000 1.036 125 V CB -0.565 31.137 31.823 -0.201 0.000 0.664 125 V HN 0.648 nan 8.190 nan 0.000 0.453 126 K N -0.158 120.034 120.400 -0.347 0.000 2.147 126 K HA -0.230 4.090 4.320 0.000 0.000 0.205 126 K C 1.815 178.203 176.600 -0.355 0.000 1.049 126 K CA 1.711 57.805 56.287 -0.322 0.000 0.936 126 K CB -0.180 32.269 32.500 -0.085 0.000 0.722 126 K HN 0.439 nan 8.250 nan 0.000 0.446 127 D N 0.901 121.144 120.400 -0.262 0.000 2.117 127 D HA -0.156 4.484 4.640 0.000 0.000 0.197 127 D C 1.945 178.088 176.300 -0.261 0.000 0.987 127 D CA 0.934 54.791 54.000 -0.239 0.000 0.829 127 D CB -0.080 40.623 40.800 -0.162 0.000 0.961 127 D HN 0.238 nan 8.370 nan 0.000 0.460 128 L N 0.039 121.105 121.223 -0.262 0.000 2.083 128 L HA -0.209 4.131 4.340 0.000 0.000 0.209 128 L C 2.476 179.244 176.870 -0.171 0.000 1.083 128 L CA 0.871 55.582 54.840 -0.215 0.000 0.752 128 L CB -0.396 41.548 42.059 -0.191 0.000 0.899 128 L HN 0.077 nan 8.230 nan 0.000 0.433 129 Y N 0.575 120.718 120.300 -0.262 0.000 2.163 129 Y HA -0.199 4.350 4.550 -0.003 0.000 0.288 129 Y C 2.565 178.205 175.900 -0.434 0.000 1.136 129 Y CA 0.651 58.606 58.100 -0.242 0.000 1.147 129 Y CB -0.773 37.593 38.460 -0.156 0.000 0.987 129 Y HN 0.110 nan 8.280 nan 0.000 0.509 130 K N 0.315 120.389 120.400 -0.543 0.000 2.063 130 K HA -0.238 4.082 4.320 0.000 0.000 0.208 130 K C 2.174 178.595 176.600 -0.297 0.000 1.048 130 K CA 1.773 57.698 56.287 -0.603 0.000 0.928 130 K CB -0.206 31.938 32.500 -0.594 0.000 0.713 130 K HN 0.196 nan 8.250 nan 0.000 0.442 131 K N 0.749 120.988 120.400 -0.268 0.000 2.097 131 K HA -0.104 4.216 4.320 0.000 0.000 0.206 131 K C 1.963 178.406 176.600 -0.262 0.000 1.049 131 K CA 1.235 57.392 56.287 -0.217 0.000 0.933 131 K CB -0.023 32.363 32.500 -0.189 0.000 0.717 131 K HN 0.135 nan 8.250 nan 0.000 0.442 132 A N 0.173 122.746 122.820 -0.411 0.000 2.072 132 A HA 0.106 4.426 4.320 0.000 0.000 0.216 132 A C 0.030 177.160 177.584 -0.757 0.000 1.156 132 A CA 0.345 51.990 52.037 -0.654 0.000 0.701 132 A CB 0.010 18.443 19.000 -0.946 0.000 0.816 132 A HN 0.197 nan 8.150 nan 0.000 0.458 133 F N 0.103 120.022 119.950 -0.051 0.000 2.375 133 F HA 0.313 4.841 4.527 0.001 0.000 0.361 133 F C 1.517 177.263 175.800 -0.090 0.000 1.117 133 F CA -0.665 57.302 58.000 -0.055 0.000 1.037 133 F CB 1.464 40.512 39.000 0.079 0.000 1.192 133 F HN 0.111 nan 8.300 nan 0.000 0.452 134 S N -0.340 115.367 115.700 0.012 0.000 2.474 134 S HA -0.151 4.319 4.470 0.000 0.000 0.235 134 S C 1.659 176.208 174.600 -0.086 0.000 0.997 134 S CA 1.264 59.440 58.200 -0.040 0.000 0.949 134 S CB -0.768 62.412 63.200 -0.034 0.000 0.766 134 S HN 0.721 nan 8.310 nan 0.000 0.517 135 T N -3.527 110.931 114.554 -0.161 0.000 3.081 135 T HA 0.086 4.436 4.350 0.000 0.000 0.250 135 T C 0.402 174.742 174.700 -0.599 0.000 1.100 135 T CA -0.583 61.361 62.100 -0.260 0.000 1.038 135 T CB -0.533 68.195 68.868 -0.232 0.000 0.962 135 T HN 0.523 nan 8.240 nan 0.000 0.516 136 W N 3.330 124.181 121.300 -0.748 0.000 2.489 136 W HA 0.364 5.027 4.660 0.005 0.000 0.327 136 W C -0.200 175.908 176.519 -0.687 0.000 1.436 136 W CA -0.064 56.635 57.345 -1.076 0.000 1.315 136 W CB 0.033 29.257 29.460 -0.395 0.000 1.373 136 W HN 0.208 nan 8.180 nan 0.000 0.557 137 K N 4.977 124.911 120.400 -0.777 0.000 2.468 137 K HA 0.477 4.797 4.320 0.000 0.000 0.252 137 K C 0.604 177.076 176.600 -0.214 0.000 0.932 137 K CA 0.227 56.343 56.287 -0.285 0.000 0.794 137 K CB 1.245 33.599 32.500 -0.243 0.000 1.241 137 K HN 0.678 nan 8.250 nan 0.000 0.428 138 G N 3.402 112.160 108.800 -0.069 0.000 2.583 138 G HA2 -0.371 3.589 3.960 0.000 0.000 0.292 138 G HA3 -0.371 3.589 3.960 0.000 0.000 0.292 138 G C 0.490 175.377 174.900 -0.023 0.000 1.203 138 G CA 0.546 45.615 45.100 -0.052 0.000 0.987 138 G HN 0.705 nan 8.290 nan 0.000 0.554 139 K N -0.940 119.402 120.400 -0.096 0.000 2.243 139 K HA 0.207 4.527 4.320 0.000 0.000 0.201 139 K C 1.202 177.671 176.600 -0.218 0.000 1.051 139 K CA 0.675 56.897 56.287 -0.108 0.000 0.970 139 K CB 0.047 32.429 32.500 -0.197 0.000 0.755 139 K HN 0.563 nan 8.250 nan 0.000 0.465 140 Y N 0.558 120.496 120.300 -0.604 0.000 3.239 140 Y HA -0.391 4.156 4.550 -0.005 0.000 0.385 140 Y C -0.102 175.392 175.900 -0.678 0.000 1.202 140 Y CA 0.475 58.013 58.100 -0.937 0.000 1.317 140 Y CB -0.473 36.975 38.460 -1.687 0.000 1.131 140 Y HN 0.250 nan 8.280 nan 0.000 0.514 141 N N -0.136 117.896 118.700 -1.112 0.000 2.484 141 N HA 0.245 4.985 4.740 0.000 0.000 0.269 141 N C 0.001 175.166 175.510 -0.576 0.000 1.237 141 N CA -0.176 52.492 53.050 -0.638 0.000 0.838 141 N CB 1.454 39.639 38.487 -0.505 0.000 1.593 141 N HN 0.555 nan 8.380 nan 0.000 0.485 142 L N 2.693 123.809 121.223 -0.178 0.000 2.079 142 L HA -0.115 4.225 4.340 0.000 0.000 0.210 142 L C 2.203 179.094 176.870 0.035 0.000 1.081 142 L CA 1.872 56.719 54.840 0.011 0.000 0.752 142 L CB -1.105 41.011 42.059 0.094 0.000 0.896 142 L HN 0.749 nan 8.230 nan 0.000 0.433 143 Y N -1.913 118.325 120.300 -0.102 0.000 2.293 143 Y HA 0.107 4.654 4.550 -0.005 0.000 0.291 143 Y C 2.124 177.940 175.900 -0.140 0.000 1.137 143 Y CA 0.974 59.008 58.100 -0.110 0.000 1.202 143 Y CB -1.424 36.925 38.460 -0.185 0.000 0.990 143 Y HN 0.007 nan 8.280 nan 0.000 0.537 144 G N 0.654 108.982 108.800 -0.786 0.000 2.408 144 G HA2 -0.164 3.797 3.960 0.000 0.000 0.217 144 G HA3 -0.164 3.797 3.960 0.000 0.000 0.217 144 G C 1.819 176.569 174.900 -0.250 0.000 1.150 144 G CA 1.007 45.719 45.100 -0.648 0.000 0.776 144 G HN 0.655 nan 8.290 nan 0.000 0.542 145 A N 0.290 122.948 122.820 -0.270 0.000 1.930 145 A HA 0.162 4.482 4.320 0.000 0.000 0.217 145 A C 2.133 179.416 177.584 -0.502 0.000 1.175 145 A CA 1.135 52.822 52.037 -0.584 0.000 0.627 145 A CB -0.502 18.122 19.000 -0.626 0.000 0.815 145 A HN 0.263 nan 8.150 nan 0.000 0.443 146 F N 0.010 119.846 119.950 -0.189 0.000 2.171 146 F HA -0.104 4.423 4.527 -0.001 0.000 0.300 146 F C 2.111 178.053 175.800 0.236 0.000 1.090 146 F CA 1.299 59.394 58.000 0.160 0.000 1.293 146 F CB -0.406 38.722 39.000 0.213 0.000 1.013 146 F HN 0.104 nan 8.300 nan 0.000 0.486 147 L N -0.406 120.969 121.223 0.254 0.000 2.017 147 L HA -0.238 4.102 4.340 0.000 0.000 0.208 147 L C 2.532 179.360 176.870 -0.070 0.000 1.073 147 L CA 1.761 56.621 54.840 0.033 0.000 0.745 147 L CB -0.645 41.353 42.059 -0.101 0.000 0.894 147 L HN 0.151 nan 8.230 nan 0.000 0.432 148 E N 0.264 120.374 120.200 -0.149 0.000 2.077 148 E HA -0.296 4.054 4.350 0.000 0.000 0.193 148 E C 2.143 178.726 176.600 -0.029 0.000 0.989 148 E CA 1.334 57.595 56.400 -0.231 0.000 0.800 148 E CB 0.159 29.625 29.700 -0.391 0.000 0.746 148 E HN 0.135 nan 8.360 nan 0.000 0.452 149 K N 0.848 121.242 120.400 -0.009 0.000 2.026 149 K HA -0.115 4.205 4.320 0.000 0.000 0.208 149 K C 1.808 178.463 176.600 0.091 0.000 1.048 149 K CA 1.674 58.003 56.287 0.070 0.000 0.929 149 K CB -0.621 31.799 32.500 -0.134 0.000 0.713 149 K HN 0.159 nan 8.250 nan 0.000 0.439 150 A N 0.123 123.064 122.820 0.201 0.000 1.883 150 A HA -0.126 4.194 4.320 0.000 0.000 0.217 150 A C 2.373 180.024 177.584 0.110 0.000 1.186 150 A CA 1.986 54.153 52.037 0.216 0.000 0.624 150 A CB -0.917 18.100 19.000 0.028 0.000 0.822 150 A HN 0.140 nan 8.150 nan 0.000 0.444 151 V N 0.061 120.012 119.914 0.061 0.000 2.332 151 V HA -0.288 3.832 4.120 0.000 0.000 0.248 151 V C 2.620 178.828 176.094 0.191 0.000 1.055 151 V CA 2.309 64.672 62.300 0.104 0.000 1.038 151 V CB -0.826 31.034 31.823 0.061 0.000 0.651 151 V HN 0.534 nan 8.190 nan 0.000 0.450 152 R N -0.529 120.094 120.500 0.206 0.000 2.148 152 R HA -0.015 4.326 4.340 0.000 0.000 0.227 152 R C 2.052 178.427 176.300 0.125 0.000 1.103 152 R CA 1.033 57.237 56.100 0.175 0.000 0.983 152 R CB -0.247 30.139 30.300 0.144 0.000 0.874 152 R HN 0.432 nan 8.270 nan 0.000 0.451 153 L N 0.582 121.890 121.223 0.141 0.000 2.554 153 L HA 0.042 4.382 4.340 0.000 0.000 0.226 153 L C 0.229 177.237 176.870 0.231 0.000 1.137 153 L CA -0.261 54.688 54.840 0.181 0.000 0.863 153 L CB 0.055 42.261 42.059 0.245 0.000 0.985 153 L HN 0.059 nan 8.230 nan 0.000 0.451 154 L N 0.933 122.271 121.223 0.192 0.000 2.380 154 L HA 0.130 4.470 4.340 0.000 0.000 0.273 154 L C 0.392 177.340 176.870 0.130 0.000 1.138 154 L CA 0.347 55.296 54.840 0.181 0.000 0.832 154 L CB 0.616 42.791 42.059 0.195 0.000 1.124 154 L HN -0.007 nan 8.230 nan 0.000 0.454 155 K N 4.948 125.410 120.400 0.103 0.000 2.168 155 K HA 0.289 4.609 4.320 0.000 0.000 0.258 155 K C -2.257 174.370 176.600 0.044 0.000 1.010 155 K CA -1.487 54.832 56.287 0.054 0.000 0.929 155 K CB 0.009 32.527 32.500 0.029 0.000 0.998 155 K HN 0.394 nan 8.250 nan 0.000 0.479 156 P HA -0.093 nan 4.420 nan 0.000 0.262 156 P C 0.500 177.800 177.300 0.001 0.000 1.182 156 P CA 1.139 64.247 63.100 0.013 0.000 0.761 156 P CB 0.446 32.150 31.700 0.006 0.000 0.795 157 G N 2.113 110.901 108.800 -0.020 0.000 2.205 157 G HA2 -0.205 3.755 3.960 0.000 0.000 0.261 157 G HA3 -0.205 3.755 3.960 0.000 0.000 0.261 157 G C 0.719 175.598 174.900 -0.035 0.000 0.980 157 G CA -0.083 44.995 45.100 -0.036 0.000 0.632 157 G HN 0.889 nan 8.290 nan 0.000 0.533 158 G N -0.985 107.811 108.800 -0.006 0.000 2.690 158 G HA2 0.527 4.487 3.960 0.000 0.000 0.239 158 G HA3 0.527 4.487 3.960 0.000 0.000 0.239 158 G C -0.119 174.771 174.900 -0.017 0.000 1.233 158 G CA 0.540 45.648 45.100 0.013 0.000 0.847 158 G HN 1.107 nan 8.290 nan 0.000 0.588 159 V N 0.973 120.882 119.914 -0.007 0.000 2.735 159 V HA 0.554 4.674 4.120 0.000 0.000 0.310 159 V C -0.485 175.606 176.094 -0.006 0.000 1.061 159 V CA -0.715 61.570 62.300 -0.025 0.000 0.913 159 V CB 1.636 33.433 31.823 -0.043 0.000 1.005 159 V HN 0.725 nan 8.190 nan 0.000 0.428 160 L N 5.264 126.499 121.223 0.020 0.000 2.365 160 L HA 0.879 5.219 4.340 0.000 0.000 0.273 160 L C -1.027 175.802 176.870 -0.067 0.000 1.000 160 L CA -0.207 54.593 54.840 -0.068 0.000 0.819 160 L CB 2.175 44.171 42.059 -0.104 0.000 1.284 160 L HN 0.428 nan 8.230 nan 0.000 0.418 161 V N 5.361 125.221 119.914 -0.089 0.000 2.462 161 V HA 0.516 4.636 4.120 0.000 0.000 0.288 161 V C -0.988 175.208 176.094 0.170 0.000 1.020 161 V CA -0.386 61.914 62.300 0.000 0.000 0.857 161 V CB 1.026 32.828 31.823 -0.034 0.000 1.013 161 V HN 0.524 nan 8.190 nan 0.000 0.431 162 F N 2.740 122.634 119.950 -0.094 0.000 2.579 162 F HA 0.735 5.261 4.527 -0.001 0.000 0.324 162 F C -0.027 175.740 175.800 -0.056 0.000 1.058 162 F CA -1.581 56.340 58.000 -0.131 0.000 0.944 162 F CB 2.259 41.192 39.000 -0.111 0.000 1.245 162 F HN 0.254 nan 8.300 nan 0.000 0.477 163 V N 4.923 124.900 119.914 0.105 0.000 2.409 163 V HA 0.854 4.974 4.120 0.000 0.000 0.291 163 V C -1.216 174.924 176.094 0.076 0.000 1.020 163 V CA -0.397 61.983 62.300 0.134 0.000 0.848 163 V CB 1.281 33.238 31.823 0.224 0.000 0.990 163 V HN 0.663 nan 8.190 nan 0.000 0.430 164 V N 4.212 124.080 119.914 -0.077 0.000 3.182 164 V HA 0.804 4.924 4.120 0.000 0.000 0.308 164 V C -2.956 172.730 176.094 -0.679 0.000 1.240 164 V CA -2.638 59.308 62.300 -0.590 0.000 1.063 164 V CB 1.838 33.247 31.823 -0.689 0.000 1.076 164 V HN 0.652 nan 8.190 nan 0.000 0.446 165 P HA 0.362 nan 4.420 nan 0.000 0.270 165 P C 0.293 177.394 177.300 -0.332 0.000 1.223 165 P CA 0.447 63.140 63.100 -0.678 0.000 0.785 165 P CB 0.789 32.038 31.700 -0.752 0.000 0.923 166 A N 0.936 123.641 122.820 -0.191 0.000 2.218 166 A HA -0.042 4.278 4.320 0.000 0.000 0.209 166 A C 1.851 179.205 177.584 -0.383 0.000 1.168 166 A CA 1.298 53.151 52.037 -0.307 0.000 0.804 166 A CB -1.623 17.253 19.000 -0.207 0.000 0.834 166 A HN 0.616 nan 8.150 nan 0.000 0.482 167 T N -1.731 112.747 114.554 -0.127 0.000 2.778 167 T HA -0.235 4.115 4.350 0.000 0.000 0.269 167 T C 1.763 176.419 174.700 -0.074 0.000 1.050 167 T CA 1.428 63.526 62.100 -0.005 0.000 1.137 167 T CB -0.822 68.139 68.868 0.155 0.000 0.860 167 T HN 0.857 nan 8.240 nan 0.000 0.468 168 W N 1.721 122.797 121.300 -0.373 0.000 2.538 168 W HA 0.127 4.783 4.660 -0.005 0.000 0.254 168 W C 1.224 177.701 176.519 -0.071 0.000 1.249 168 W CA -0.146 56.945 57.345 -0.424 0.000 1.253 168 W CB -0.991 28.084 29.460 -0.642 0.000 1.130 168 W HN 0.272 nan 8.180 nan 0.000 0.618 169 L N 1.481 122.192 121.223 -0.854 0.000 2.217 169 L HA -0.147 4.193 4.340 0.000 0.000 0.211 169 L C 2.336 179.077 176.870 -0.215 0.000 1.107 169 L CA 1.667 56.032 54.840 -0.792 0.000 0.783 169 L CB -0.690 40.733 42.059 -1.060 0.000 0.919 169 L HN 0.037 nan 8.230 nan 0.000 0.442 170 V N -4.890 115.001 119.914 -0.040 0.000 3.473 170 V HA 0.226 4.346 4.120 0.000 0.000 0.253 170 V C 0.975 177.151 176.094 0.137 0.000 1.340 170 V CA -0.356 62.004 62.300 0.100 0.000 1.103 170 V CB 0.068 31.986 31.823 0.159 0.000 0.881 170 V HN 0.025 nan 8.190 nan 0.000 0.451 171 L N 1.491 122.843 121.223 0.215 0.000 2.397 171 L HA 0.351 4.691 4.340 0.000 0.000 0.271 171 L C 1.841 178.842 176.870 0.219 0.000 1.148 171 L CA -0.179 54.806 54.840 0.242 0.000 0.825 171 L CB 0.640 42.910 42.059 0.351 0.000 1.117 171 L HN 0.136 nan 8.230 nan 0.000 0.456 172 E N 1.230 121.495 120.200 0.108 0.000 2.118 172 E HA -0.217 4.134 4.350 0.000 0.000 0.195 172 E C 1.282 177.882 176.600 -0.000 0.000 0.992 172 E CA 1.270 57.704 56.400 0.056 0.000 0.804 172 E CB 0.051 29.761 29.700 0.017 0.000 0.741 172 E HN 0.639 nan 8.360 nan 0.000 0.458 173 D N -0.689 119.650 120.400 -0.101 0.000 2.271 173 D HA -0.148 4.492 4.640 0.000 0.000 0.207 173 D C 0.618 176.645 176.300 -0.455 0.000 0.983 173 D CA 0.704 54.500 54.000 -0.340 0.000 0.878 173 D CB -0.126 40.333 40.800 -0.568 0.000 0.920 173 D HN 0.151 nan 8.370 nan 0.000 0.479 174 F N -1.042 118.986 119.950 0.130 0.000 2.668 174 F HA 0.430 4.954 4.527 -0.004 0.000 0.301 174 F C 1.768 177.678 175.800 0.183 0.000 1.106 174 F CA -0.431 57.684 58.000 0.191 0.000 1.289 174 F CB -0.087 39.051 39.000 0.230 0.000 1.006 174 F HN -0.144 nan 8.300 nan 0.000 0.535 175 A N 0.315 123.258 122.820 0.206 0.000 1.933 175 A HA -0.101 4.219 4.320 0.000 0.000 0.218 175 A C 2.150 179.809 177.584 0.124 0.000 1.175 175 A CA 1.441 53.571 52.037 0.154 0.000 0.628 175 A CB -0.638 18.411 19.000 0.081 0.000 0.814 175 A HN 0.424 nan 8.150 nan 0.000 0.444 176 L N -1.106 120.170 121.223 0.088 0.000 2.156 176 L HA -0.112 4.228 4.340 0.000 0.000 0.208 176 L C 2.515 179.462 176.870 0.129 0.000 1.095 176 L CA 0.849 55.727 54.840 0.064 0.000 0.770 176 L CB -0.514 41.536 42.059 -0.015 0.000 0.914 176 L HN 0.452 nan 8.230 nan 0.000 0.439 177 L N 0.072 121.410 121.223 0.193 0.000 2.046 177 L HA -0.168 4.172 4.340 0.000 0.000 0.208 177 L C 2.750 179.791 176.870 0.285 0.000 1.077 177 L CA 1.677 56.656 54.840 0.232 0.000 0.747 177 L CB -0.471 41.780 42.059 0.319 0.000 0.896 177 L HN 0.078 nan 8.230 nan 0.000 0.432 178 R N -0.375 120.325 120.500 0.334 0.000 2.073 178 R HA -0.158 4.182 4.340 0.000 0.000 0.234 178 R C 2.167 178.437 176.300 -0.050 0.000 1.134 178 R CA 1.796 58.096 56.100 0.333 0.000 0.952 178 R CB -0.424 30.113 30.300 0.395 0.000 0.850 178 R HN 0.518 nan 8.270 nan 0.000 0.433 179 E N -0.112 120.067 120.200 -0.035 0.000 2.153 179 E HA -0.197 4.153 4.350 0.000 0.000 0.194 179 E C 1.628 178.214 176.600 -0.022 0.000 0.988 179 E CA 1.051 57.382 56.400 -0.115 0.000 0.811 179 E CB -0.130 29.548 29.700 -0.036 0.000 0.746 179 E HN 0.225 nan 8.360 nan 0.000 0.466 180 F N 1.174 121.085 119.950 -0.065 0.000 2.084 180 F HA -0.141 4.386 4.527 0.001 0.000 0.296 180 F C 1.830 177.605 175.800 -0.042 0.000 1.111 180 F CA 1.248 59.222 58.000 -0.044 0.000 1.224 180 F CB -0.145 38.834 39.000 -0.035 0.000 0.991 180 F HN -0.097 nan 8.300 nan 0.000 0.471 181 L N 0.160 121.420 121.223 0.061 0.000 2.042 181 L HA -0.215 4.125 4.340 0.000 0.000 0.210 181 L C 2.811 179.782 176.870 0.168 0.000 1.076 181 L CA 1.239 56.087 54.840 0.013 0.000 0.749 181 L CB -1.296 40.910 42.059 0.243 0.000 0.893 181 L HN 0.272 nan 8.230 nan 0.000 0.432 182 A N 0.971 123.771 122.820 -0.032 0.000 1.933 182 A HA -0.218 4.102 4.320 0.000 0.000 0.218 182 A C 2.358 179.942 177.584 0.000 0.000 1.175 182 A CA 1.934 53.917 52.037 -0.090 0.000 0.628 182 A CB -0.515 18.096 19.000 -0.649 0.000 0.814 182 A HN 0.582 nan 8.150 nan 0.000 0.444 183 R N -1.466 118.990 120.500 -0.074 0.000 2.254 183 R HA 0.151 4.491 4.340 0.000 0.000 0.195 183 R C 0.932 177.192 176.300 -0.067 0.000 0.957 183 R CA 0.822 56.885 56.100 -0.061 0.000 1.024 183 R CB -0.034 30.218 30.300 -0.079 0.000 0.952 183 R HN 0.273 nan 8.270 nan 0.000 0.484 184 E N 0.900 121.032 120.200 -0.113 0.000 2.385 184 E HA 0.173 4.523 4.350 0.000 0.000 0.194 184 E C 0.667 177.397 176.600 0.215 0.000 1.013 184 E CA 0.929 57.291 56.400 -0.062 0.000 0.866 184 E CB 1.146 30.606 29.700 -0.400 0.000 0.832 184 E HN 0.553 nan 8.360 nan 0.000 0.500 185 G N 0.900 109.853 108.800 0.255 0.000 2.356 185 G HA2 0.165 4.125 3.960 0.000 0.000 0.281 185 G HA3 0.165 4.125 3.960 0.000 0.000 0.281 185 G C -1.467 173.464 174.900 0.051 0.000 1.246 185 G CA -0.653 44.447 45.100 -0.000 0.000 0.889 185 G HN 0.047 nan 8.290 nan 0.000 0.486 186 K N -0.595 119.703 120.400 -0.170 0.000 2.123 186 K HA 0.797 5.117 4.320 0.000 0.000 0.259 186 K C -1.114 175.530 176.600 0.074 0.000 0.960 186 K CA -0.543 55.754 56.287 0.016 0.000 0.872 186 K CB 2.025 34.514 32.500 -0.019 0.000 1.079 186 K HN 0.386 nan 8.250 nan 0.000 0.440 187 T N 1.090 115.783 114.554 0.232 0.000 2.861 187 T HA 0.345 4.695 4.350 0.000 0.000 0.287 187 T C -0.989 173.800 174.700 0.148 0.000 1.003 187 T CA -0.835 61.426 62.100 0.269 0.000 0.977 187 T CB 1.681 70.778 68.868 0.382 0.000 0.996 187 T HN 0.555 nan 8.240 nan 0.000 0.448 188 S N 1.666 117.466 115.700 0.167 0.000 2.532 188 S HA 0.659 5.129 4.470 0.000 0.000 0.299 188 S C -0.649 173.968 174.600 0.027 0.000 1.105 188 S CA -0.660 57.605 58.200 0.108 0.000 1.018 188 S CB 1.377 64.656 63.200 0.132 0.000 1.021 188 S HN 0.511 nan 8.310 nan 0.000 0.483 189 V N 4.227 124.107 119.914 -0.057 0.000 2.448 189 V HA 0.457 4.577 4.120 0.000 0.000 0.295 189 V C -1.589 174.478 176.094 -0.045 0.000 1.025 189 V CA -0.651 61.661 62.300 0.019 0.000 0.859 189 V CB 1.004 32.800 31.823 -0.044 0.000 0.988 189 V HN 0.849 nan 8.190 nan 0.000 0.431 190 Y N 4.003 124.459 120.300 0.259 0.000 2.345 190 Y HA 0.438 4.987 4.550 -0.001 0.000 0.331 190 Y C -0.248 175.796 175.900 0.241 0.000 0.959 190 Y CA -1.013 57.271 58.100 0.306 0.000 1.204 190 Y CB 0.955 39.596 38.460 0.302 0.000 1.135 190 Y HN 0.673 nan 8.280 nan 0.000 0.477 191 Y N 3.996 124.476 120.300 0.300 0.000 2.465 191 Y HA 0.228 4.776 4.550 -0.003 0.000 0.331 191 Y C -0.023 175.910 175.900 0.056 0.000 1.102 191 Y CA 0.058 58.271 58.100 0.189 0.000 1.358 191 Y CB 0.582 39.201 38.460 0.266 0.000 1.213 191 Y HN 0.744 nan 8.280 nan 0.000 0.525 192 L N 4.780 125.572 121.223 -0.719 0.000 2.515 192 L HA 0.426 4.766 4.340 0.000 0.000 0.202 192 L C 1.277 177.618 176.870 -0.882 0.000 1.056 192 L CA 0.465 54.888 54.840 -0.695 0.000 0.847 192 L CB -0.369 41.344 42.059 -0.576 0.000 1.131 192 L HN 0.985 nan 8.230 nan 0.000 0.484 193 G N 0.560 108.744 108.800 -1.027 0.000 2.512 193 G HA2 -0.205 3.755 3.960 0.000 0.000 0.210 193 G HA3 -0.205 3.755 3.960 0.000 0.000 0.210 193 G C -0.483 174.288 174.900 -0.215 0.000 1.295 193 G CA -0.615 44.136 45.100 -0.582 0.000 0.934 193 G HN 0.190 nan 8.290 nan 0.000 0.554 194 E N 1.121 121.279 120.200 -0.069 0.000 1.842 194 E HA 0.250 4.600 4.350 0.000 0.000 0.278 194 E C 1.610 178.186 176.600 -0.041 0.000 1.171 194 E CA 0.421 56.820 56.400 -0.001 0.000 1.127 194 E CB 0.259 29.980 29.700 0.035 0.000 1.100 194 E HN 0.929 nan 8.360 nan 0.000 0.456 195 V N -0.990 118.837 119.914 -0.146 0.000 3.647 195 V HA 0.182 4.303 4.120 0.000 0.000 0.279 195 V C 0.211 176.115 176.094 -0.317 0.000 1.314 195 V CA 0.018 62.175 62.300 -0.238 0.000 1.125 195 V CB -0.561 31.036 31.823 -0.377 0.000 0.907 195 V HN 0.179 nan 8.190 nan 0.000 0.434 196 F N 2.298 122.253 119.950 0.008 0.000 2.361 196 F HA 0.655 5.182 4.527 0.000 0.000 0.364 196 F C -2.248 173.555 175.800 0.004 0.000 1.120 196 F CA -2.951 55.053 58.000 0.008 0.000 1.102 196 F CB 0.853 39.857 39.000 0.008 0.000 1.183 196 F HN -0.004 nan 8.300 nan 0.000 0.476 197 P HA -0.035 nan 4.420 nan 0.000 0.265 197 P C -0.124 177.226 177.300 0.084 0.000 1.193 197 P CA 0.239 63.391 63.100 0.086 0.000 0.765 197 P CB 0.424 32.158 31.700 0.057 0.000 0.823 198 Q N -0.374 119.459 119.800 0.056 0.000 2.461 198 Q HA -0.290 4.050 4.340 0.000 0.000 0.264 198 Q C -0.931 175.093 176.000 0.041 0.000 1.085 198 Q CA 1.429 57.256 55.803 0.039 0.000 1.006 198 Q CB -2.120 26.632 28.738 0.023 0.000 1.437 198 Q HN 0.294 nan 8.270 nan 0.000 0.514 199 K N 1.354 121.798 120.400 0.072 0.000 2.604 199 K HA 0.370 4.690 4.320 0.000 0.000 0.247 199 K C -0.896 175.756 176.600 0.086 0.000 0.956 199 K CA -0.434 55.892 56.287 0.064 0.000 0.896 199 K CB 1.580 34.123 32.500 0.071 0.000 1.131 199 K HN 0.227 nan 8.250 nan 0.000 0.440 200 K N 3.102 123.536 120.400 0.056 0.000 2.083 200 K HA 0.273 4.593 4.320 0.000 0.000 0.246 200 K C -1.099 175.544 176.600 0.071 0.000 1.160 200 K CA -0.192 56.129 56.287 0.057 0.000 1.060 200 K CB 0.095 32.616 32.500 0.035 0.000 1.417 200 K HN 0.320 nan 8.250 nan 0.000 0.329 201 V N 1.783 121.757 119.914 0.100 0.000 2.950 201 V HA 0.219 4.339 4.120 0.000 0.000 0.295 201 V C -1.531 174.634 176.094 0.119 0.000 1.297 201 V CA -0.693 61.669 62.300 0.103 0.000 0.962 201 V CB 2.282 34.173 31.823 0.113 0.000 1.081 201 V HN 0.503 nan 8.190 nan 0.000 0.432 202 S N 4.936 120.688 115.700 0.087 0.000 2.438 202 S HA 0.850 5.320 4.470 0.000 0.000 0.293 202 S C -0.032 174.583 174.600 0.025 0.000 1.141 202 S CA 0.309 58.557 58.200 0.080 0.000 1.080 202 S CB 0.772 64.080 63.200 0.180 0.000 0.978 202 S HN 1.591 nan 8.310 nan 0.000 0.479 203 A N 3.875 126.675 122.820 -0.035 0.000 2.330 203 A HA 0.891 5.211 4.320 0.000 0.000 0.329 203 A C -0.238 177.267 177.584 -0.132 0.000 1.135 203 A CA -0.653 51.356 52.037 -0.047 0.000 0.817 203 A CB 1.251 20.331 19.000 0.134 0.000 1.269 203 A HN 1.459 nan 8.150 nan 0.000 0.469 204 V N -1.464 118.428 119.914 -0.037 0.000 3.078 204 V HA 0.846 4.966 4.120 0.000 0.000 0.311 204 V C -0.782 175.393 176.094 0.134 0.000 1.138 204 V CA -0.766 61.561 62.300 0.045 0.000 1.007 204 V CB 1.335 33.210 31.823 0.088 0.000 1.045 204 V HN 0.718 nan 8.190 nan 0.000 0.432 205 V N 3.798 123.848 119.914 0.227 0.000 2.483 205 V HA 0.579 4.699 4.120 0.000 0.000 0.295 205 V C -0.230 176.084 176.094 0.367 0.000 1.035 205 V CA -0.465 61.989 62.300 0.256 0.000 0.896 205 V CB 1.617 33.584 31.823 0.240 0.000 0.986 205 V HN 0.916 nan 8.190 nan 0.000 0.447 206 I N 5.385 126.127 120.570 0.287 0.000 2.465 206 I HA 0.603 4.773 4.170 0.000 0.000 0.291 206 I C -0.302 175.951 176.117 0.227 0.000 1.014 206 I CA -0.765 60.714 61.300 0.299 0.000 1.093 206 I CB 1.184 39.318 38.000 0.223 0.000 1.267 206 I HN 0.661 nan 8.210 nan 0.000 0.431 207 R N 7.479 128.147 120.500 0.279 0.000 2.275 207 R HA 0.360 4.700 4.340 0.000 0.000 0.326 207 R C -2.064 174.363 176.300 0.212 0.000 0.973 207 R CA -0.508 55.707 56.100 0.192 0.000 0.854 207 R CB 1.044 31.467 30.300 0.206 0.000 1.156 207 R HN 0.609 nan 8.270 nan 0.000 0.487 208 F N 3.128 123.087 119.950 0.015 0.000 2.469 208 F HA 0.344 4.872 4.527 0.002 0.000 0.332 208 F C -0.828 174.976 175.800 0.006 0.000 1.103 208 F CA -0.512 57.500 58.000 0.020 0.000 0.979 208 F CB 1.847 40.837 39.000 -0.015 0.000 1.137 208 F HN 0.491 nan 8.300 nan 0.000 0.463 209 Q N 5.544 124.796 119.800 -0.913 0.000 2.330 209 Q HA 0.262 4.602 4.340 0.000 0.000 0.269 209 Q C -1.011 174.375 176.000 -1.024 0.000 1.022 209 Q CA -0.881 54.520 55.803 -0.671 0.000 0.796 209 Q CB 1.617 30.168 28.738 -0.312 0.000 1.271 209 Q HN 0.749 nan 8.270 nan 0.000 0.450 210 K N 2.769 122.833 120.400 -0.561 0.000 2.449 210 K HA 0.142 4.462 4.320 0.000 0.000 0.237 210 K C -1.371 175.131 176.600 -0.162 0.000 1.265 210 K CA 0.229 56.356 56.287 -0.266 0.000 1.193 210 K CB -0.291 32.239 32.500 0.051 0.000 1.515 210 K HN 0.680 nan 8.250 nan 0.000 0.259 211 S N -0.444 115.131 115.700 -0.208 0.000 2.645 211 S HA 0.583 5.053 4.470 0.000 0.000 0.268 211 S C 0.044 174.588 174.600 -0.094 0.000 1.110 211 S CA -0.685 57.453 58.200 -0.103 0.000 0.823 211 S CB 0.682 63.834 63.200 -0.079 0.000 1.091 211 S HN 0.617 nan 8.310 nan 0.000 0.466 212 G N 1.221 109.999 108.800 -0.037 0.000 2.633 212 G HA2 0.084 4.044 3.960 0.000 0.000 0.263 212 G HA3 0.084 4.044 3.960 0.000 0.000 0.263 212 G C -0.503 174.408 174.900 0.018 0.000 1.310 212 G CA 0.835 45.931 45.100 -0.008 0.000 0.914 212 G HN 1.952 nan 8.290 nan 0.000 0.569 213 K N -1.785 118.646 120.400 0.051 0.000 2.556 213 K HA 0.785 5.105 4.320 0.000 0.000 0.289 213 K C 0.194 176.874 176.600 0.134 0.000 1.040 213 K CA -0.034 56.318 56.287 0.108 0.000 0.894 213 K CB 1.326 33.895 32.500 0.115 0.000 1.547 213 K HN 2.756 nan 8.250 nan 0.000 0.417 214 G N -0.409 108.525 108.800 0.223 0.000 2.603 214 G HA2 0.211 4.171 3.960 0.000 0.000 0.686 214 G HA3 0.211 4.171 3.960 0.000 0.000 0.686 214 G C -2.017 173.048 174.900 0.274 0.000 1.286 214 G CA -0.402 44.836 45.100 0.230 0.000 0.871 214 G HN 1.021 nan 8.290 nan 0.000 0.568 215 L N -0.511 120.810 121.223 0.163 0.000 2.422 215 L HA 0.909 5.249 4.340 0.000 0.000 0.264 215 L C -0.252 176.595 176.870 -0.038 0.000 0.984 215 L CA -0.387 54.424 54.840 -0.049 0.000 0.819 215 L CB 2.407 44.135 42.059 -0.552 0.000 1.330 215 L HN 1.031 nan 8.230 nan 0.000 0.410 216 S N 4.492 120.163 115.700 -0.048 0.000 2.561 216 S HA 0.724 5.194 4.470 0.000 0.000 0.303 216 S C -1.326 173.196 174.600 -0.130 0.000 1.110 216 S CA -0.392 57.752 58.200 -0.093 0.000 1.034 216 S CB 1.516 64.757 63.200 0.069 0.000 1.010 216 S HN 0.649 nan 8.310 nan 0.000 0.482 217 L N 4.008 125.083 121.223 -0.247 0.000 2.296 217 L HA 0.774 5.114 4.340 0.000 0.000 0.286 217 L C -1.921 174.858 176.870 -0.151 0.000 1.023 217 L CA -0.237 54.488 54.840 -0.192 0.000 0.812 217 L CB 0.364 42.251 42.059 -0.286 0.000 1.223 217 L HN 0.704 nan 8.230 nan 0.000 0.421 218 W N 3.411 124.681 121.300 -0.049 0.000 2.761 218 W HA 0.534 5.193 4.660 -0.002 0.000 0.340 218 W C -0.282 176.451 176.519 0.358 0.000 1.072 218 W CA -0.599 56.846 57.345 0.167 0.000 1.215 218 W CB 1.085 30.585 29.460 0.067 0.000 1.420 218 W HN 0.448 nan 8.180 nan 0.000 0.519 219 D N 0.126 120.917 120.400 0.651 0.000 2.442 219 D HA 0.662 5.302 4.640 0.000 0.000 0.254 219 D C -0.531 176.027 176.300 0.430 0.000 1.069 219 D CA -0.217 54.067 54.000 0.474 0.000 1.017 219 D CB 1.776 42.785 40.800 0.349 0.000 1.172 219 D HN 0.333 nan 8.370 nan 0.000 0.561 220 T N -1.866 112.867 114.554 0.298 0.000 2.896 220 T HA 0.528 4.878 4.350 0.000 0.000 0.297 220 T C -0.917 173.891 174.700 0.181 0.000 1.108 220 T CA -0.992 61.229 62.100 0.202 0.000 1.004 220 T CB 1.570 70.454 68.868 0.027 0.000 1.159 220 T HN 0.358 nan 8.240 nan 0.000 0.499 221 Q N 0.784 120.671 119.800 0.145 0.000 2.330 221 Q HA 0.425 4.765 4.340 0.000 0.000 0.269 221 Q C -0.970 175.034 176.000 0.008 0.000 1.022 221 Q CA -0.560 55.295 55.803 0.087 0.000 0.796 221 Q CB 1.753 30.533 28.738 0.070 0.000 1.271 221 Q HN 0.828 nan 8.270 nan 0.000 0.450 222 E N 2.595 122.751 120.200 -0.074 0.000 2.197 222 E HA 0.439 4.789 4.350 0.000 0.000 0.281 222 E C -1.224 175.209 176.600 -0.278 0.000 0.995 222 E CA -0.224 55.953 56.400 -0.371 0.000 0.808 222 E CB 1.265 30.712 29.700 -0.422 0.000 1.093 222 E HN 0.673 nan 8.360 nan 0.000 0.394 223 S N 2.789 118.294 115.700 -0.325 0.000 2.697 223 S HA 0.082 4.552 4.470 0.000 0.000 0.289 223 S C 0.557 175.028 174.600 -0.215 0.000 1.149 223 S CA -0.820 57.259 58.200 -0.201 0.000 0.850 223 S CB 1.506 64.630 63.200 -0.127 0.000 1.151 223 S HN 0.768 nan 8.310 nan 0.000 0.491 224 E N 1.234 121.350 120.200 -0.142 0.000 2.110 224 E HA -0.156 4.194 4.350 0.000 0.000 0.193 224 E C 1.652 178.182 176.600 -0.117 0.000 0.988 224 E CA 1.641 57.968 56.400 -0.122 0.000 0.804 224 E CB -0.110 29.541 29.700 -0.082 0.000 0.745 224 E HN 0.615 nan 8.360 nan 0.000 0.458 225 S N -0.716 114.923 115.700 -0.100 0.000 2.547 225 S HA 0.168 4.638 4.470 0.000 0.000 0.235 225 S C 0.903 175.450 174.600 -0.088 0.000 0.980 225 S CA 0.447 58.603 58.200 -0.075 0.000 0.941 225 S CB 0.082 63.253 63.200 -0.049 0.000 0.763 225 S HN 0.560 nan 8.310 nan 0.000 0.532 226 G N 0.268 108.964 108.800 -0.173 0.000 2.352 226 G HA2 0.093 4.053 3.960 0.000 0.000 0.324 226 G HA3 0.093 4.053 3.960 0.000 0.000 0.324 226 G C -0.981 173.707 174.900 -0.353 0.000 1.249 226 G CA -0.845 44.117 45.100 -0.230 0.000 1.053 226 G HN 0.235 nan 8.290 nan 0.000 0.492 227 F N 1.222 121.091 119.950 -0.135 0.000 2.396 227 F HA 0.620 5.148 4.527 0.001 0.000 0.343 227 F C 1.061 176.709 175.800 -0.254 0.000 1.104 227 F CA 0.044 57.853 58.000 -0.319 0.000 1.161 227 F CB 2.138 40.688 39.000 -0.748 0.000 1.146 227 F HN 0.346 nan 8.300 nan 0.000 0.522 228 T N 5.417 119.970 114.554 -0.000 0.000 2.786 228 T HA 0.336 4.686 4.350 0.000 0.000 0.283 228 T C -2.670 172.102 174.700 0.120 0.000 0.992 228 T CA -1.492 60.653 62.100 0.074 0.000 0.954 228 T CB 1.569 70.486 68.868 0.081 0.000 0.934 228 T HN 0.238 nan 8.240 nan 0.000 0.440 229 P HA 0.407 nan 4.420 nan 0.000 0.276 229 P C -0.943 176.664 177.300 0.511 0.000 1.230 229 P CA -0.387 62.951 63.100 0.397 0.000 0.776 229 P CB 0.895 32.820 31.700 0.376 0.000 0.888 230 I N 3.623 124.556 120.570 0.605 0.000 2.439 230 I HA 0.167 4.337 4.170 0.000 0.000 0.285 230 I C 0.329 176.766 176.117 0.534 0.000 1.021 230 I CA -1.316 60.284 61.300 0.499 0.000 1.091 230 I CB 1.803 40.017 38.000 0.357 0.000 1.242 230 I HN 0.184 nan 8.210 nan 0.000 0.439 231 L N 7.157 128.558 121.223 0.297 0.000 2.513 231 L HA -0.033 4.307 4.340 0.000 0.000 0.272 231 L C 0.326 177.162 176.870 -0.057 0.000 1.187 231 L CA 0.979 55.649 54.840 -0.282 0.000 0.895 231 L CB 0.211 41.935 42.059 -0.558 0.000 1.147 231 L HN 0.728 nan 8.230 nan 0.000 0.483 232 W N 5.692 126.846 121.300 -0.244 0.000 2.922 232 W HA 0.495 5.157 4.660 0.004 0.000 0.260 232 W C -0.206 176.204 176.519 -0.181 0.000 1.088 232 W CA 0.758 58.051 57.345 -0.087 0.000 1.694 232 W CB 0.473 30.003 29.460 0.118 0.000 1.064 232 W HN 0.657 nan 8.180 nan 0.000 0.611 233 A N 0.756 123.559 122.820 -0.028 0.000 2.610 233 A HA 0.566 4.886 4.320 0.000 0.000 0.291 233 A C -1.683 175.696 177.584 -0.341 0.000 1.086 233 A CA -0.580 51.330 52.037 -0.211 0.000 0.677 233 A CB 1.575 20.532 19.000 -0.072 0.000 1.278 233 A HN 0.125 nan 8.150 nan 0.000 0.414 234 E N -0.245 119.653 120.200 -0.504 0.000 2.256 234 E HA 0.511 4.861 4.350 0.000 0.000 0.268 234 E C -2.121 174.131 176.600 -0.581 0.000 0.877 234 E CA -0.273 55.882 56.400 -0.409 0.000 0.757 234 E CB 2.095 31.620 29.700 -0.293 0.000 1.183 234 E HN 0.513 nan 8.360 nan 0.000 0.418 235 Y N 2.548 122.784 120.300 -0.108 0.000 2.787 235 Y HA 0.203 4.755 4.550 0.003 0.000 0.352 235 Y C -1.671 174.221 175.900 -0.014 0.000 1.027 235 Y CA -1.937 56.142 58.100 -0.036 0.000 1.219 235 Y CB 0.921 39.382 38.460 0.001 0.000 1.110 235 Y HN 0.472 nan 8.280 nan 0.000 0.614 236 P HA -0.210 nan 4.420 nan 0.000 0.219 236 P C 0.443 177.629 177.300 -0.191 0.000 1.146 236 P CA 1.822 64.808 63.100 -0.190 0.000 0.808 236 P CB 0.454 31.912 31.700 -0.402 0.000 0.779 237 H N -3.143 116.049 119.070 0.203 0.000 2.487 237 H HA 0.113 4.669 4.556 -0.000 0.000 0.290 237 H C 0.154 175.629 175.328 0.244 0.000 1.081 237 H CA -1.278 54.880 56.048 0.184 0.000 1.116 237 H CB -0.921 28.918 29.762 0.128 0.000 1.560 237 H HN 0.177 nan 8.280 nan 0.000 0.548 238 W N 3.013 124.418 121.300 0.174 0.000 2.409 238 W HA -0.039 4.618 4.660 -0.004 0.000 0.338 238 W C 0.448 177.036 176.519 0.115 0.000 1.273 238 W CA 0.467 57.888 57.345 0.127 0.000 1.299 238 W CB 0.547 30.071 29.460 0.108 0.000 1.192 238 W HN 0.181 nan 8.180 nan 0.000 0.565 239 E N 3.524 123.536 120.200 -0.313 0.000 2.660 239 E HA 0.255 4.605 4.350 0.000 0.000 0.216 239 E C 1.135 177.327 176.600 -0.679 0.000 0.986 239 E CA 0.399 56.571 56.400 -0.381 0.000 1.037 239 E CB 0.602 30.217 29.700 -0.142 0.000 1.041 239 E HN 0.809 nan 8.360 nan 0.000 0.480 240 G N 1.773 109.726 108.800 -1.411 0.000 2.175 240 G HA2 -0.192 3.768 3.960 0.000 0.000 0.182 240 G HA3 -0.192 3.768 3.960 0.000 0.000 0.182 240 G C -0.053 174.684 174.900 -0.272 0.000 1.003 240 G CA -0.567 43.934 45.100 -0.998 0.000 0.666 240 G HN 0.150 nan 8.290 nan 0.000 0.506 241 E N 0.043 120.169 120.200 -0.124 0.000 2.425 241 E HA 0.456 4.807 4.350 0.000 0.000 0.258 241 E C 1.272 178.048 176.600 0.293 0.000 1.151 241 E CA -0.198 56.285 56.400 0.138 0.000 0.958 241 E CB 0.705 30.494 29.700 0.148 0.000 0.968 241 E HN 0.410 nan 8.360 nan 0.000 0.451 242 I N 1.804 122.475 120.570 0.168 0.000 2.775 242 I HA -0.097 4.073 4.170 0.000 0.000 0.290 242 I C 0.173 176.328 176.117 0.063 0.000 1.203 242 I CA 0.584 61.967 61.300 0.137 0.000 1.433 242 I CB 0.161 38.237 38.000 0.127 0.000 1.354 242 I HN 0.258 nan 8.210 nan 0.000 0.579 243 I N 7.464 128.009 120.570 -0.041 0.000 2.331 243 I HA 0.369 4.539 4.170 0.000 0.000 0.292 243 I C 0.163 176.195 176.117 -0.142 0.000 0.998 243 I CA -0.347 60.803 61.300 -0.250 0.000 1.267 243 I CB 0.644 38.358 38.000 -0.476 0.000 1.386 243 I HN 0.586 nan 8.210 nan 0.000 0.476 244 R N 4.644 125.030 120.500 -0.190 0.000 2.836 244 R HA 0.513 4.853 4.340 0.000 0.000 0.269 244 R C -1.461 174.690 176.300 -0.248 0.000 1.010 244 R CA -0.865 55.175 56.100 -0.098 0.000 0.930 244 R CB 1.834 32.079 30.300 -0.093 0.000 1.218 244 R HN 0.286 nan 8.270 nan 0.000 0.473 245 F N 1.875 121.710 119.950 -0.191 0.000 2.351 245 F HA 0.242 4.768 4.527 -0.003 0.000 0.362 245 F C 0.363 176.188 175.800 0.042 0.000 1.131 245 F CA -0.247 57.594 58.000 -0.265 0.000 1.187 245 F CB 0.683 39.260 39.000 -0.705 0.000 1.434 245 F HN 0.216 nan 8.300 nan 0.000 0.553 246 E N 1.213 121.647 120.200 0.390 0.000 2.319 246 E HA 0.548 4.898 4.350 0.000 0.000 0.268 246 E C 0.023 176.838 176.600 0.358 0.000 1.050 246 E CA -0.562 56.014 56.400 0.294 0.000 0.878 246 E CB 1.490 31.324 29.700 0.223 0.000 1.066 246 E HN 0.485 nan 8.360 nan 0.000 0.406 247 T N -2.676 111.992 114.554 0.191 0.000 2.841 247 T HA 0.153 4.503 4.350 0.000 0.000 0.296 247 T C 0.818 175.551 174.700 0.056 0.000 1.166 247 T CA -0.896 61.259 62.100 0.092 0.000 1.007 247 T CB 1.606 70.540 68.868 0.110 0.000 1.253 247 T HN 0.616 nan 8.240 nan 0.000 0.511 248 E N 0.083 120.288 120.200 0.008 0.000 2.118 248 E HA -0.218 4.132 4.350 0.000 0.000 0.195 248 E C 1.456 178.084 176.600 0.047 0.000 0.992 248 E CA 1.434 57.842 56.400 0.014 0.000 0.804 248 E CB 0.036 29.728 29.700 -0.013 0.000 0.741 248 E HN 0.611 nan 8.360 nan 0.000 0.458 249 E N 0.116 120.353 120.200 0.061 0.000 2.028 249 E HA -0.157 4.193 4.350 0.000 0.000 0.191 249 E C 2.407 179.093 176.600 0.142 0.000 0.988 249 E CA 1.900 58.353 56.400 0.089 0.000 0.799 249 E CB -0.801 28.953 29.700 0.090 0.000 0.755 249 E HN 0.526 nan 8.360 nan 0.000 0.447 250 T N -0.050 114.608 114.554 0.174 0.000 2.720 250 T HA -0.124 4.226 4.350 0.000 0.000 0.268 250 T C 1.949 176.798 174.700 0.248 0.000 1.037 250 T CA 0.881 63.151 62.100 0.283 0.000 1.144 250 T CB -0.129 68.814 68.868 0.125 0.000 0.864 250 T HN 0.009 nan 8.240 nan 0.000 0.444 251 R N 1.161 121.752 120.500 0.152 0.000 2.073 251 R HA 0.006 4.346 4.340 0.000 0.000 0.234 251 R C 2.720 179.080 176.300 0.100 0.000 1.134 251 R CA 1.393 57.565 56.100 0.120 0.000 0.952 251 R CB -0.462 29.889 30.300 0.085 0.000 0.850 251 R HN 0.465 nan 8.270 nan 0.000 0.433 252 K N 0.774 121.224 120.400 0.083 0.000 2.103 252 K HA -0.127 4.193 4.320 0.000 0.000 0.207 252 K C 2.050 178.687 176.600 0.060 0.000 1.048 252 K CA 0.924 57.247 56.287 0.061 0.000 0.930 252 K CB -0.028 32.502 32.500 0.050 0.000 0.716 252 K HN 0.085 nan 8.250 nan 0.000 0.444 253 L N 1.504 122.772 121.223 0.076 0.000 2.109 253 L HA -0.100 4.240 4.340 0.000 0.000 0.207 253 L C 1.765 178.657 176.870 0.035 0.000 1.086 253 L CA 1.718 56.582 54.840 0.039 0.000 0.760 253 L CB -0.579 41.465 42.059 -0.024 0.000 0.910 253 L HN 0.265 nan 8.230 nan 0.000 0.437 254 E N -0.028 120.223 120.200 0.085 0.000 2.150 254 E HA -0.184 4.166 4.350 0.000 0.000 0.193 254 E C 1.859 178.508 176.600 0.082 0.000 0.985 254 E CA 1.172 57.637 56.400 0.108 0.000 0.814 254 E CB -0.038 29.762 29.700 0.167 0.000 0.752 254 E HN 0.487 nan 8.360 nan 0.000 0.466 255 I N -0.376 120.234 120.570 0.067 0.000 3.684 255 I HA 0.029 4.199 4.170 0.000 0.000 0.304 255 I C 1.719 177.855 176.117 0.030 0.000 1.278 255 I CA 0.835 62.164 61.300 0.048 0.000 1.272 255 I CB -0.495 37.531 38.000 0.043 0.000 1.029 255 I HN -0.093 nan 8.210 nan 0.000 0.458 256 S N 0.209 115.925 115.700 0.026 0.000 2.527 256 S HA 0.362 4.832 4.470 0.000 0.000 0.222 256 S C 0.986 175.580 174.600 -0.011 0.000 0.985 256 S CA 0.248 58.448 58.200 -0.000 0.000 0.921 256 S CB -0.201 62.991 63.200 -0.013 0.000 0.772 256 S HN 0.645 nan 8.310 nan 0.000 0.529 257 G N 0.256 109.067 108.800 0.018 0.000 2.721 257 G HA2 0.574 4.534 3.960 0.000 0.000 0.296 257 G HA3 0.574 4.534 3.960 0.000 0.000 0.296 257 G C -1.430 173.500 174.900 0.050 0.000 1.383 257 G CA -1.047 44.068 45.100 0.024 0.000 0.788 257 G HN 0.314 nan 8.290 nan 0.000 0.500 258 M N 0.882 120.517 119.600 0.058 0.000 2.249 258 M HA 0.433 4.913 4.480 0.000 0.000 0.351 258 M C -2.394 173.966 176.300 0.101 0.000 1.180 258 M CA -1.625 53.710 55.300 0.059 0.000 1.127 258 M CB 1.820 34.441 32.600 0.036 0.000 1.546 258 M HN 0.083 nan 8.290 nan 0.000 0.461 259 P HA -0.044 nan 4.420 nan 0.000 0.265 259 P C 0.264 177.642 177.300 0.130 0.000 1.193 259 P CA -0.142 63.024 63.100 0.109 0.000 0.765 259 P CB 0.474 32.225 31.700 0.084 0.000 0.823 260 L N 4.625 125.941 121.223 0.155 0.000 2.129 260 L HA -0.128 4.212 4.340 0.000 0.000 0.212 260 L C 2.139 179.131 176.870 0.204 0.000 1.087 260 L CA 2.410 57.373 54.840 0.205 0.000 0.757 260 L CB -1.424 40.715 42.059 0.133 0.000 0.896 260 L HN 0.534 nan 8.230 nan 0.000 0.434 261 G N -1.822 107.046 108.800 0.112 0.000 2.559 261 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 261 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 261 G C 1.093 176.031 174.900 0.063 0.000 1.126 261 G CA 0.723 45.871 45.100 0.081 0.000 0.778 261 G HN 0.405 nan 8.290 nan 0.000 0.543 262 D N -0.238 120.202 120.400 0.068 0.000 2.348 262 D HA 0.118 4.758 4.640 0.000 0.000 0.211 262 D C 2.314 178.638 176.300 0.040 0.000 0.998 262 D CA 0.157 54.184 54.000 0.045 0.000 0.873 262 D CB 0.409 41.235 40.800 0.042 0.000 0.925 262 D HN 0.324 nan 8.370 nan 0.000 0.524 263 L N -1.396 119.829 121.223 0.003 0.000 2.470 263 L HA 0.206 4.546 4.340 0.000 0.000 0.219 263 L C 0.013 176.561 176.870 -0.537 0.000 1.071 263 L CA 0.331 55.024 54.840 -0.245 0.000 0.850 263 L CB 0.381 42.324 42.059 -0.193 0.000 1.040 263 L HN -0.166 nan 8.230 nan 0.000 0.475 264 F N -1.621 118.268 119.950 -0.102 0.000 2.563 264 F HA 0.429 4.957 4.527 0.003 0.000 0.316 264 F C 0.264 175.971 175.800 -0.154 0.000 1.076 264 F CA -0.981 56.947 58.000 -0.120 0.000 0.921 264 F CB 1.133 40.108 39.000 -0.041 0.000 1.209 264 F HN -0.152 nan 8.300 nan 0.000 0.462 265 H N 3.327 122.486 119.070 0.148 0.000 2.610 265 H HA 0.440 4.995 4.556 -0.002 0.000 0.336 265 H C -0.380 174.968 175.328 0.033 0.000 1.087 265 H CA 0.117 56.200 56.048 0.058 0.000 1.405 265 H CB 1.372 31.141 29.762 0.013 0.000 1.460 265 H HN 0.429 nan 8.280 nan 0.000 0.538 266 I N 4.676 125.318 120.570 0.120 0.000 2.382 266 I HA 0.271 4.442 4.170 0.000 0.000 0.286 266 I C 0.265 176.410 176.117 0.048 0.000 1.002 266 I CA -0.592 60.728 61.300 0.034 0.000 1.135 266 I CB 0.858 38.847 38.000 -0.019 0.000 1.288 266 I HN 0.266 nan 8.210 nan 0.000 0.448 267 R N 4.647 125.132 120.500 -0.026 0.000 2.873 267 R HA 0.593 4.933 4.340 0.000 0.000 0.264 267 R C -1.240 175.158 176.300 0.163 0.000 1.026 267 R CA -0.942 55.168 56.100 0.017 0.000 1.002 267 R CB 2.418 32.581 30.300 -0.228 0.000 1.174 267 R HN 0.370 nan 8.270 nan 0.000 0.488 268 F N -0.099 119.923 119.950 0.120 0.000 2.575 268 F HA 0.595 5.191 4.527 0.114 0.000 0.330 268 F C 0.037 175.997 175.800 0.267 0.000 1.056 268 F CA -0.652 57.430 58.000 0.137 0.000 0.964 268 F CB 1.643 40.643 39.000 -0.001 0.000 1.258 268 F HN 0.654 nan 8.300 nan 0.000 0.484 269 A N 2.208 125.040 122.820 0.020 0.000 2.425 269 A HA 0.550 4.870 4.320 0.000 0.000 0.242 269 A C -0.191 177.653 177.584 0.434 0.000 1.077 269 A CA -0.002 52.223 52.037 0.314 0.000 0.781 269 A CB -0.430 18.755 19.000 0.309 0.000 1.020 269 A HN 1.120 nan 8.150 nan 0.000 0.494 270 A N 1.923 124.993 122.820 0.415 0.000 2.466 270 A HA 0.485 4.805 4.320 0.000 0.000 0.238 270 A C 0.609 178.417 177.584 0.373 0.000 1.074 270 A CA -0.294 51.891 52.037 0.248 0.000 0.774 270 A CB 0.046 19.032 19.000 -0.023 0.000 1.015 270 A HN 0.796 nan 8.150 nan 0.000 0.498 271 R N 1.218 121.871 120.500 0.254 0.000 2.577 271 R HA 0.255 4.595 4.340 0.000 0.000 0.269 271 R C 1.739 178.240 176.300 0.334 0.000 1.084 271 R CA 0.058 56.326 56.100 0.280 0.000 1.163 271 R CB -0.178 30.231 30.300 0.180 0.000 1.100 271 R HN 0.952 nan 8.270 nan 0.000 0.547 272 S N 0.673 116.547 115.700 0.290 0.000 2.380 272 S HA -0.128 4.342 4.470 0.000 0.000 0.229 272 S C -1.030 173.712 174.600 0.236 0.000 1.043 272 S CA 1.200 59.560 58.200 0.267 0.000 1.038 272 S CB -1.045 62.245 63.200 0.151 0.000 0.872 272 S HN 0.425 nan 8.310 nan 0.000 0.456 273 P HA -0.045 nan 4.420 nan 0.000 0.217 273 P C 1.395 178.761 177.300 0.110 0.000 1.150 273 P CA 1.407 64.579 63.100 0.120 0.000 0.832 273 P CB -0.148 31.606 31.700 0.091 0.000 0.787 274 E N -1.345 118.903 120.200 0.081 0.000 2.058 274 E HA -0.188 4.162 4.350 0.000 0.000 0.194 274 E C 1.827 178.419 176.600 -0.014 0.000 0.997 274 E CA 1.155 57.546 56.400 -0.014 0.000 0.801 274 E CB -0.652 28.967 29.700 -0.135 0.000 0.746 274 E HN 0.243 nan 8.360 nan 0.000 0.450 275 F N 1.480 121.474 119.950 0.074 0.000 2.084 275 F HA -0.120 4.400 4.527 -0.013 0.000 0.296 275 F C 2.307 178.156 175.800 0.082 0.000 1.111 275 F CA 1.203 59.237 58.000 0.056 0.000 1.224 275 F CB -0.243 38.763 39.000 0.011 0.000 0.991 275 F HN -0.164 nan 8.300 nan 0.000 0.471 276 K N 0.425 120.985 120.400 0.268 0.000 2.160 276 K HA -0.234 4.086 4.320 0.000 0.000 0.206 276 K C 1.773 178.455 176.600 0.137 0.000 1.047 276 K CA 1.919 58.309 56.287 0.171 0.000 0.930 276 K CB -0.275 32.302 32.500 0.129 0.000 0.720 276 K HN 0.380 nan 8.250 nan 0.000 0.450 277 K N -0.255 120.220 120.400 0.124 0.000 2.367 277 K HA 0.001 4.321 4.320 0.000 0.000 0.194 277 K C 0.175 176.822 176.600 0.078 0.000 1.027 277 K CA -0.020 56.316 56.287 0.082 0.000 1.075 277 K CB -0.010 32.520 32.500 0.051 0.000 0.845 277 K HN 0.057 nan 8.250 nan 0.000 0.529 278 H N 3.291 122.384 119.070 0.037 0.000 2.929 278 H HA 0.066 4.622 4.556 -0.000 0.000 0.317 278 H C -1.462 173.888 175.328 0.038 0.000 1.031 278 H CA -1.238 54.823 56.048 0.021 0.000 1.466 278 H CB 1.260 31.026 29.762 0.008 0.000 1.482 278 H HN -0.036 nan 8.280 nan 0.000 0.561 279 P HA -0.188 nan 4.420 nan 0.000 0.221 279 P C 0.627 177.982 177.300 0.092 0.000 1.145 279 P CA 1.524 64.592 63.100 -0.054 0.000 0.795 279 P CB 0.186 31.799 31.700 -0.144 0.000 0.775 280 A N -0.427 122.582 122.820 0.314 0.000 2.218 280 A HA 0.172 4.493 4.320 0.000 0.000 0.209 280 A C 1.147 178.857 177.584 0.210 0.000 1.168 280 A CA 0.181 52.381 52.037 0.271 0.000 0.804 280 A CB -0.421 18.765 19.000 0.312 0.000 0.834 280 A HN 0.068 nan 8.150 nan 0.000 0.482 281 V N 1.769 121.830 119.914 0.244 0.000 2.607 281 V HA 0.377 4.497 4.120 0.000 0.000 0.289 281 V C 0.133 176.324 176.094 0.162 0.000 1.053 281 V CA -0.526 61.890 62.300 0.193 0.000 0.996 281 V CB 1.077 33.039 31.823 0.231 0.000 0.995 281 V HN 0.433 nan 8.190 nan 0.000 0.476 282 R N 3.115 123.723 120.500 0.179 0.000 2.892 282 R HA 0.522 4.862 4.340 0.000 0.000 0.265 282 R C -0.018 176.438 176.300 0.260 0.000 1.025 282 R CA -0.895 55.306 56.100 0.168 0.000 0.982 282 R CB 1.537 31.906 30.300 0.114 0.000 1.185 282 R HN 0.487 nan 8.270 nan 0.000 0.484 283 K N 0.676 121.200 120.400 0.207 0.000 2.387 283 K HA 0.197 4.517 4.320 0.000 0.000 0.198 283 K C -0.219 176.553 176.600 0.287 0.000 1.022 283 K CA 0.151 56.605 56.287 0.279 0.000 1.128 283 K CB 0.512 33.105 32.500 0.154 0.000 0.853 283 K HN 0.413 nan 8.250 nan 0.000 0.523 284 E N 0.701 120.909 120.200 0.013 0.000 2.356 284 E HA 0.286 4.636 4.350 0.000 0.000 0.275 284 E C -2.788 173.179 176.600 -1.057 0.000 0.904 284 E CA -2.379 53.680 56.400 -0.568 0.000 0.757 284 E CB 2.534 32.052 29.700 -0.303 0.000 1.232 284 E HN -0.199 nan 8.360 nan 0.000 0.442 285 P HA 0.364 nan 4.420 nan 0.000 0.270 285 P C -0.376 176.561 177.300 -0.605 0.000 1.223 285 P CA -0.113 62.097 63.100 -1.484 0.000 0.785 285 P CB 0.946 31.979 31.700 -1.111 0.000 0.923 286 G N 0.432 109.016 108.800 -0.360 0.000 2.506 286 G HA2 0.444 4.404 3.960 0.000 0.000 0.292 286 G HA3 0.444 4.404 3.960 0.000 0.000 0.292 286 G C -3.269 171.569 174.900 -0.104 0.000 1.425 286 G CA -0.985 44.001 45.100 -0.191 0.000 0.788 286 G HN 0.376 nan 8.290 nan 0.000 0.490 287 P HA 0.261 nan 4.420 nan 0.000 0.265 287 P C 1.080 178.363 177.300 -0.029 0.000 1.193 287 P CA 1.584 64.659 63.100 -0.042 0.000 0.765 287 P CB 1.044 32.722 31.700 -0.036 0.000 0.823 288 G N 2.131 110.919 108.800 -0.019 0.000 2.189 288 G HA2 -0.252 3.708 3.960 0.000 0.000 0.267 288 G HA3 -0.252 3.708 3.960 0.000 0.000 0.267 288 G C 0.018 174.907 174.900 -0.018 0.000 0.975 288 G CA 0.073 45.163 45.100 -0.018 0.000 0.644 288 G HN 0.497 nan 8.290 nan 0.000 0.537 289 L N -0.018 121.202 121.223 -0.005 0.000 2.325 289 L HA 0.784 5.124 4.340 0.000 0.000 0.279 289 L C 0.241 177.164 176.870 0.088 0.000 1.054 289 L CA -1.001 53.860 54.840 0.035 0.000 0.804 289 L CB 1.830 43.913 42.059 0.040 0.000 1.200 289 L HN -0.016 nan 8.230 nan 0.000 0.436 290 V N 3.631 123.589 119.914 0.073 0.000 2.876 290 V HA 0.514 4.634 4.120 0.000 0.000 0.312 290 V C -2.198 173.906 176.094 0.018 0.000 1.085 290 V CA -1.882 60.444 62.300 0.044 0.000 0.945 290 V CB 3.215 34.868 31.823 -0.282 0.000 1.017 290 V HN 0.586 nan 8.190 nan 0.000 0.428 291 P HA 0.122 nan 4.420 nan 0.000 0.271 291 P C -0.638 176.433 177.300 -0.383 0.000 1.216 291 P CA 0.128 62.972 63.100 -0.427 0.000 0.776 291 P CB 0.941 32.387 31.700 -0.423 0.000 0.881 292 V N 4.783 124.376 119.914 -0.535 0.000 2.405 292 V HA 0.072 4.192 4.120 0.000 0.000 0.264 292 V C 0.977 176.752 176.094 -0.532 0.000 1.048 292 V CA -0.209 61.738 62.300 -0.589 0.000 0.966 292 V CB -0.177 31.155 31.823 -0.818 0.000 1.015 292 V HN 0.355 nan 8.190 nan 0.000 0.477 293 L N 5.340 126.228 121.223 -0.560 0.000 2.464 293 L HA 0.535 4.875 4.340 0.000 0.000 0.264 293 L C 0.843 177.549 176.870 -0.274 0.000 1.199 293 L CA 0.107 54.605 54.840 -0.571 0.000 0.818 293 L CB 0.782 42.104 42.059 -1.229 0.000 1.102 293 L HN 0.818 nan 8.230 nan 0.000 0.473 294 T N -2.631 111.849 114.554 -0.124 0.000 2.716 294 T HA 0.377 4.727 4.350 0.000 0.000 0.286 294 T C 0.997 175.757 174.700 0.101 0.000 1.052 294 T CA -0.161 61.968 62.100 0.047 0.000 1.024 294 T CB 1.189 70.046 68.868 -0.017 0.000 1.349 294 T HN 0.600 nan 8.240 nan 0.000 0.525 295 G N -0.135 108.707 108.800 0.069 0.000 2.485 295 G HA2 -0.175 3.785 3.960 0.000 0.000 0.221 295 G HA3 -0.175 3.785 3.960 0.000 0.000 0.221 295 G C 1.439 176.281 174.900 -0.096 0.000 1.115 295 G CA 0.372 45.482 45.100 0.018 0.000 0.751 295 G HN 0.759 nan 8.290 nan 0.000 0.567 296 R N -0.200 120.173 120.500 -0.210 0.000 2.280 296 R HA 0.009 4.349 4.340 0.000 0.000 0.207 296 R C 1.717 177.789 176.300 -0.381 0.000 1.043 296 R CA 1.009 56.845 56.100 -0.441 0.000 1.006 296 R CB -0.128 29.604 30.300 -0.946 0.000 0.885 296 R HN 0.390 nan 8.270 nan 0.000 0.467 297 N N -0.136 118.437 118.700 -0.211 0.000 2.373 297 N HA -0.007 4.733 4.740 0.000 0.000 0.181 297 N C -0.373 174.969 175.510 -0.281 0.000 1.082 297 N CA 0.038 52.951 53.050 -0.228 0.000 0.885 297 N CB 0.377 38.672 38.487 -0.320 0.000 0.977 297 N HN -0.022 nan 8.380 nan 0.000 0.462 298 L N 1.050 122.190 121.223 -0.139 0.000 2.265 298 L HA 0.410 4.750 4.340 0.000 0.000 0.288 298 L C -0.708 175.963 176.870 -0.332 0.000 1.058 298 L CA -0.215 54.535 54.840 -0.150 0.000 0.809 298 L CB 0.564 42.615 42.059 -0.013 0.000 1.179 298 L HN -0.177 nan 8.230 nan 0.000 0.429 299 K N 5.026 125.103 120.400 -0.539 0.000 2.352 299 K HA 0.652 4.972 4.320 0.000 0.000 0.240 299 K C -2.601 173.797 176.600 -0.337 0.000 1.017 299 K CA -2.025 53.928 56.287 -0.557 0.000 0.851 299 K CB 1.114 32.947 32.500 -1.113 0.000 1.261 299 K HN 0.274 nan 8.250 nan 0.000 0.451 300 P HA 0.108 nan 4.420 nan 0.000 0.269 300 P C 0.208 177.578 177.300 0.115 0.000 1.252 300 P CA 0.768 63.859 63.100 -0.015 0.000 0.780 300 P CB 0.426 32.139 31.700 0.022 0.000 0.829 301 G N 2.042 110.898 108.800 0.094 0.000 2.225 301 G HA2 -0.163 3.797 3.960 0.000 0.000 0.254 301 G HA3 -0.163 3.797 3.960 0.000 0.000 0.254 301 G C -0.279 174.811 174.900 0.317 0.000 0.988 301 G CA -0.021 45.196 45.100 0.196 0.000 0.625 301 G HN 0.577 nan 8.290 nan 0.000 0.527 302 W N -1.004 120.302 121.300 0.011 0.000 3.025 302 W HA 0.748 5.413 4.660 0.008 0.000 0.343 302 W C -1.259 175.224 176.519 -0.060 0.000 1.246 302 W CA -1.149 56.196 57.345 -0.000 0.000 1.178 302 W CB 0.891 30.352 29.460 0.003 0.000 1.463 302 W HN 0.436 nan 8.180 nan 0.000 0.578 303 V N 2.051 121.936 119.914 -0.048 0.000 2.540 303 V HA 0.149 4.269 4.120 0.000 0.000 0.302 303 V C -0.529 175.283 176.094 -0.469 0.000 1.035 303 V CA -0.369 61.647 62.300 -0.474 0.000 0.873 303 V CB 1.564 32.945 31.823 -0.737 0.000 0.992 303 V HN 0.504 nan 8.190 nan 0.000 0.428 304 D N 3.248 123.336 120.400 -0.520 0.000 2.393 304 D HA 0.170 4.810 4.640 0.000 0.000 0.232 304 D C 0.136 176.259 176.300 -0.296 0.000 1.192 304 D CA -0.019 53.865 54.000 -0.194 0.000 0.882 304 D CB 0.793 41.498 40.800 -0.158 0.000 1.038 304 D HN 0.518 nan 8.370 nan 0.000 0.499 305 Y N 1.728 121.947 120.300 -0.135 0.000 2.544 305 Y HA 0.007 4.558 4.550 0.001 0.000 0.286 305 Y C 1.983 177.832 175.900 -0.086 0.000 1.141 305 Y CA 0.217 58.144 58.100 -0.290 0.000 1.299 305 Y CB 0.414 38.597 38.460 -0.460 0.000 1.030 305 Y HN 0.361 nan 8.280 nan 0.000 0.543 306 E N 0.594 120.863 120.200 0.115 0.000 2.075 306 E HA -0.002 4.348 4.350 0.000 0.000 0.190 306 E C 0.456 177.080 176.600 0.039 0.000 0.969 306 E CA 0.406 56.869 56.400 0.105 0.000 0.815 306 E CB -0.205 29.559 29.700 0.106 0.000 0.776 306 E HN 0.279 nan 8.360 nan 0.000 0.457 307 K N 2.088 122.475 120.400 -0.021 0.000 2.436 307 K HA 0.067 4.387 4.320 0.000 0.000 0.275 307 K C 0.373 176.785 176.600 -0.313 0.000 0.999 307 K CA -0.016 56.175 56.287 -0.159 0.000 0.980 307 K CB 0.376 32.772 32.500 -0.174 0.000 0.919 307 K HN -0.066 nan 8.250 nan 0.000 0.484 308 N N 2.305 120.761 118.700 -0.407 0.000 2.446 308 N HA 0.102 4.842 4.740 0.000 0.000 0.265 308 N C -0.390 174.765 175.510 -0.591 0.000 0.975 308 N CA -0.249 52.502 53.050 -0.498 0.000 0.928 308 N CB 0.697 38.870 38.487 -0.523 0.000 1.160 308 N HN 0.591 nan 8.380 nan 0.000 0.495 309 H N 0.842 119.761 119.070 -0.252 0.000 2.827 309 H HA 0.097 4.654 4.556 0.001 0.000 0.269 309 H C 1.193 176.403 175.328 -0.196 0.000 1.031 309 H CA 0.304 56.246 56.048 -0.177 0.000 1.202 309 H CB 0.723 30.401 29.762 -0.140 0.000 1.511 309 H HN 0.618 nan 8.280 nan 0.000 0.517 310 S N -0.656 114.915 115.700 -0.214 0.000 2.503 310 S HA 0.182 4.652 4.470 0.000 0.000 0.215 310 S C 1.812 176.266 174.600 -0.242 0.000 1.003 310 S CA 0.571 58.637 58.200 -0.222 0.000 0.910 310 S CB 0.460 63.478 63.200 -0.304 0.000 0.790 310 S HN 0.445 nan 8.310 nan 0.000 0.514 311 G N 1.009 109.581 108.800 -0.379 0.000 2.148 311 G HA2 -0.202 3.758 3.960 0.000 0.000 0.254 311 G HA3 -0.202 3.758 3.960 0.000 0.000 0.254 311 G C -0.178 174.576 174.900 -0.243 0.000 0.981 311 G CA 0.505 45.457 45.100 -0.247 0.000 0.670 311 G HN 0.565 nan 8.290 nan 0.000 0.528 312 L N -0.795 120.120 121.223 -0.513 0.000 2.362 312 L HA 0.786 5.126 4.340 0.000 0.000 0.271 312 L C -0.115 176.462 176.870 -0.488 0.000 1.002 312 L CA -1.217 53.452 54.840 -0.284 0.000 0.818 312 L CB 1.602 43.513 42.059 -0.246 0.000 1.298 312 L HN 0.106 nan 8.230 nan 0.000 0.420 313 W N 4.527 125.778 121.300 -0.082 0.000 3.032 313 W HA 0.721 5.386 4.660 0.009 0.000 0.335 313 W C -0.450 176.028 176.519 -0.068 0.000 1.154 313 W CA -0.643 56.650 57.345 -0.088 0.000 1.204 313 W CB 2.399 31.821 29.460 -0.063 0.000 1.416 313 W HN 0.471 nan 8.180 nan 0.000 0.521 314 M N 1.920 121.593 119.600 0.121 0.000 2.694 314 M HA 0.442 4.922 4.480 0.000 0.000 0.276 314 M C -3.096 173.195 176.300 -0.017 0.000 1.167 314 M CA -1.783 53.550 55.300 0.054 0.000 0.849 314 M CB 2.631 35.248 32.600 0.027 0.000 1.705 314 M HN -0.118 nan 8.290 nan 0.000 0.504 315 P HA 0.125 nan 4.420 nan 0.000 0.271 315 P C -0.466 176.768 177.300 -0.111 0.000 1.220 315 P CA 0.129 63.196 63.100 -0.054 0.000 0.768 315 P CB 1.361 33.049 31.700 -0.020 0.000 0.848 316 K N 3.212 123.501 120.400 -0.184 0.000 2.044 316 K HA -0.213 4.107 4.320 0.000 0.000 0.210 316 K C 1.856 178.381 176.600 -0.124 0.000 1.049 316 K CA 2.240 58.377 56.287 -0.249 0.000 0.927 316 K CB -0.075 32.226 32.500 -0.330 0.000 0.713 316 K HN 0.577 nan 8.250 nan 0.000 0.443 317 E N -0.124 120.032 120.200 -0.072 0.000 2.265 317 E HA -0.192 4.158 4.350 0.000 0.000 0.196 317 E C 1.568 178.158 176.600 -0.016 0.000 0.996 317 E CA 0.765 57.149 56.400 -0.026 0.000 0.832 317 E CB -0.025 29.668 29.700 -0.011 0.000 0.756 317 E HN 0.166 nan 8.360 nan 0.000 0.491 318 R N 0.230 120.712 120.500 -0.030 0.000 2.276 318 R HA 0.188 4.528 4.340 0.000 0.000 0.196 318 R C 2.122 178.382 176.300 -0.066 0.000 0.961 318 R CA 0.732 56.818 56.100 -0.024 0.000 1.024 318 R CB -0.007 30.291 30.300 -0.003 0.000 0.940 318 R HN 0.296 nan 8.270 nan 0.000 0.480 319 A N 2.513 125.296 122.820 -0.060 0.000 1.978 319 A HA -0.232 4.088 4.320 0.000 0.000 0.220 319 A C 1.988 179.614 177.584 0.071 0.000 1.170 319 A CA 1.674 53.688 52.037 -0.038 0.000 0.636 319 A CB -0.313 18.637 19.000 -0.084 0.000 0.810 319 A HN 0.394 nan 8.150 nan 0.000 0.448 320 K N -0.059 120.370 120.400 0.049 0.000 2.442 320 K HA -0.104 4.216 4.320 0.000 0.000 0.198 320 K C 1.259 177.834 176.600 -0.042 0.000 1.044 320 K CA 1.517 57.811 56.287 0.012 0.000 0.948 320 K CB -0.219 32.287 32.500 0.011 0.000 0.762 320 K HN 0.574 nan 8.250 nan 0.000 0.472 321 E N 0.627 120.804 120.200 -0.038 0.000 2.274 321 E HA -0.061 4.289 4.350 0.000 0.000 0.194 321 E C 1.515 178.072 176.600 -0.071 0.000 0.996 321 E CA 0.626 57.011 56.400 -0.025 0.000 0.840 321 E CB 0.047 29.782 29.700 0.059 0.000 0.772 321 E HN 0.258 nan 8.360 nan 0.000 0.491 322 L N -0.269 120.872 121.223 -0.137 0.000 2.253 322 L HA 0.092 4.432 4.340 0.000 0.000 0.205 322 L C 0.542 177.272 176.870 -0.233 0.000 1.078 322 L CA 0.667 55.389 54.840 -0.196 0.000 0.805 322 L CB 0.442 42.278 42.059 -0.372 0.000 0.963 322 L HN -0.155 nan 8.230 nan 0.000 0.459 323 R N -0.123 120.181 120.500 -0.327 0.000 2.510 323 R HA 0.135 4.475 4.340 0.000 0.000 0.287 323 R C -0.248 175.601 176.300 -0.751 0.000 1.084 323 R CA -0.349 55.255 56.100 -0.826 0.000 0.934 323 R CB 1.428 30.627 30.300 -1.835 0.000 1.201 323 R HN 0.036 nan 8.270 nan 0.000 0.431 324 D N 2.399 122.488 120.400 -0.518 0.000 2.149 324 D HA -0.203 4.437 4.640 0.000 0.000 0.198 324 D C 1.370 177.531 176.300 -0.231 0.000 0.990 324 D CA 1.387 55.228 54.000 -0.265 0.000 0.839 324 D CB -0.357 40.369 40.800 -0.123 0.000 0.948 324 D HN 0.557 nan 8.370 nan 0.000 0.460 325 F N -1.012 118.815 119.950 -0.204 0.000 2.699 325 F HA 0.106 4.628 4.527 -0.008 0.000 0.298 325 F C 1.392 177.149 175.800 -0.071 0.000 1.154 325 F CA -0.290 57.594 58.000 -0.193 0.000 1.457 325 F CB -1.102 37.696 39.000 -0.337 0.000 1.106 325 F HN -0.210 nan 8.300 nan 0.000 0.585 326 Y N 1.252 121.462 120.300 -0.150 0.000 2.574 326 Y HA 0.155 4.701 4.550 -0.008 0.000 0.294 326 Y C 2.384 178.373 175.900 0.148 0.000 1.142 326 Y CA -0.016 58.135 58.100 0.084 0.000 1.314 326 Y CB -0.963 37.472 38.460 -0.042 0.000 0.991 326 Y HN 0.291 nan 8.280 nan 0.000 0.555 327 A N -1.232 121.727 122.820 0.231 0.000 2.218 327 A HA 0.120 4.440 4.320 0.000 0.000 0.209 327 A C 0.894 178.599 177.584 0.203 0.000 1.168 327 A CA 0.501 52.645 52.037 0.178 0.000 0.804 327 A CB -0.303 18.760 19.000 0.106 0.000 0.834 327 A HN 0.152 nan 8.150 nan 0.000 0.482 328 T N 1.926 116.640 114.554 0.266 0.000 2.807 328 T HA 0.489 4.839 4.350 0.000 0.000 0.279 328 T C -2.970 171.917 174.700 0.312 0.000 0.993 328 T CA -1.258 60.998 62.100 0.261 0.000 0.970 328 T CB 1.708 70.713 68.868 0.229 0.000 0.950 328 T HN -0.075 nan 8.240 nan 0.000 0.441 329 P HA 0.138 nan 4.420 nan 0.000 0.264 329 P C -0.383 176.708 177.300 -0.348 0.000 1.193 329 P CA 0.132 63.204 63.100 -0.047 0.000 0.763 329 P CB 0.287 32.091 31.700 0.175 0.000 0.810 330 H N 1.195 119.716 119.070 -0.916 0.000 2.948 330 H HA 0.404 4.959 4.556 -0.003 0.000 0.315 330 H C -1.483 173.213 175.328 -1.055 0.000 1.360 330 H CA -1.176 54.249 56.048 -1.039 0.000 1.125 330 H CB 0.365 29.958 29.762 -0.281 0.000 1.844 330 H HN 0.180 nan 8.280 nan 0.000 0.529 331 L N 1.643 122.650 121.223 -0.361 0.000 2.331 331 L HA 0.388 4.729 4.340 0.000 0.000 0.278 331 L C -0.887 175.860 176.870 -0.204 0.000 1.106 331 L CA -0.137 54.633 54.840 -0.117 0.000 0.824 331 L CB 0.700 42.771 42.059 0.020 0.000 1.142 331 L HN 0.449 nan 8.230 nan 0.000 0.443 332 V N 5.785 125.512 119.914 -0.312 0.000 2.495 332 V HA 0.580 4.700 4.120 0.000 0.000 0.298 332 V C -0.445 175.424 176.094 -0.376 0.000 1.031 332 V CA -0.687 61.303 62.300 -0.516 0.000 0.871 332 V CB 1.813 33.150 31.823 -0.810 0.000 0.988 332 V HN 0.563 nan 8.190 nan 0.000 0.432 333 V N 3.222 122.934 119.914 -0.337 0.000 2.604 333 V HA 0.764 4.884 4.120 0.000 0.000 0.305 333 V C 0.472 176.538 176.094 -0.047 0.000 1.043 333 V CA -0.719 61.495 62.300 -0.144 0.000 0.888 333 V CB 1.927 33.705 31.823 -0.075 0.000 0.995 333 V HN 1.030 nan 8.190 nan 0.000 0.429 334 A N 1.741 124.548 122.820 -0.022 0.000 2.407 334 A HA 0.419 4.739 4.320 0.000 0.000 0.248 334 A C 0.538 178.257 177.584 0.224 0.000 1.082 334 A CA 0.318 52.364 52.037 0.016 0.000 0.785 334 A CB 0.047 19.035 19.000 -0.019 0.000 1.020 334 A HN 1.105 nan 8.150 nan 0.000 0.489 335 H N 0.436 119.524 119.070 0.031 0.000 2.695 335 H HA 0.191 4.689 4.556 -0.097 0.000 0.267 335 H C 0.258 175.749 175.328 0.273 0.000 0.973 335 H CA 1.554 57.687 56.048 0.141 0.000 1.223 335 H CB 0.695 30.382 29.762 -0.124 0.000 1.442 335 H HN 0.475 nan 8.280 nan 0.000 0.478 336 T N 1.253 115.853 114.554 0.076 0.000 3.438 336 T HA 0.301 4.651 4.350 0.000 0.000 0.244 336 T C 0.115 174.763 174.700 -0.086 0.000 1.269 336 T CA -0.399 61.676 62.100 -0.042 0.000 1.371 336 T CB 0.069 68.950 68.868 0.021 0.000 1.002 336 T HN 0.210 nan 8.240 nan 0.000 0.637 337 K N 1.379 121.734 120.400 -0.074 0.000 2.592 337 K HA 0.479 4.799 4.320 0.000 0.000 0.203 337 K C 0.989 177.538 176.600 -0.083 0.000 1.070 337 K CA -0.484 55.758 56.287 -0.076 0.000 1.062 337 K CB 1.140 33.606 32.500 -0.056 0.000 0.814 337 K HN 0.583 nan 8.250 nan 0.000 0.502 338 G N 0.657 109.384 108.800 -0.121 0.000 2.660 338 G HA2 -0.238 3.722 3.960 0.000 0.000 0.215 338 G HA3 -0.238 3.722 3.960 0.000 0.000 0.215 338 G C -0.371 174.494 174.900 -0.059 0.000 1.345 338 G CA -0.842 44.194 45.100 -0.107 0.000 0.877 338 G HN 0.056 nan 8.290 nan 0.000 0.549 339 T N 2.178 116.702 114.554 -0.049 0.000 3.414 339 T HA 0.567 4.917 4.350 0.000 0.000 0.304 339 T C 0.598 175.284 174.700 -0.023 0.000 1.241 339 T CA 0.812 62.898 62.100 -0.024 0.000 1.076 339 T CB -0.573 68.273 68.868 -0.036 0.000 1.134 339 T HN 0.831 nan 8.240 nan 0.000 0.759 340 R N -0.374 120.117 120.500 -0.014 0.000 2.741 340 R HA 0.693 5.033 4.340 0.000 0.000 0.274 340 R C -2.013 174.272 176.300 -0.025 0.000 1.029 340 R CA -1.151 54.932 56.100 -0.027 0.000 0.880 340 R CB 0.952 31.227 30.300 -0.043 0.000 1.264 340 R HN 0.067 nan 8.270 nan 0.000 0.465 341 V N 1.506 121.386 119.914 -0.056 0.000 2.350 341 V HA 0.434 4.554 4.120 0.000 0.000 0.285 341 V C -0.706 175.336 176.094 -0.086 0.000 1.014 341 V CA -0.729 61.527 62.300 -0.074 0.000 0.831 341 V CB 1.428 33.176 31.823 -0.125 0.000 1.000 341 V HN 0.499 nan 8.190 nan 0.000 0.433 342 V N 4.398 124.271 119.914 -0.069 0.000 2.378 342 V HA 0.886 5.006 4.120 0.000 0.000 0.288 342 V C 0.299 176.337 176.094 -0.093 0.000 1.016 342 V CA -0.224 62.028 62.300 -0.079 0.000 0.840 342 V CB 1.424 33.201 31.823 -0.077 0.000 0.994 342 V HN 0.983 nan 8.190 nan 0.000 0.431 343 A N 4.048 126.812 122.820 -0.093 0.000 2.469 343 A HA 1.083 5.403 4.320 0.000 0.000 0.299 343 A C -0.498 177.053 177.584 -0.055 0.000 1.098 343 A CA -0.208 51.771 52.037 -0.097 0.000 0.737 343 A CB 2.187 21.128 19.000 -0.097 0.000 1.312 343 A HN 1.692 nan 8.150 nan 0.000 0.414 344 A N 0.149 122.943 122.820 -0.043 0.000 2.605 344 A HA 0.585 4.905 4.320 0.000 0.000 0.294 344 A C -1.613 176.035 177.584 0.107 0.000 1.062 344 A CA -0.309 51.756 52.037 0.047 0.000 0.682 344 A CB 0.652 19.653 19.000 0.002 0.000 1.278 344 A HN 1.480 nan 8.150 nan 0.000 0.410 345 W N 2.849 124.153 121.300 0.008 0.000 2.331 345 W HA 0.380 5.042 4.660 0.004 0.000 0.306 345 W C -1.106 175.457 176.519 0.074 0.000 1.162 345 W CA 0.140 57.501 57.345 0.026 0.000 1.232 345 W CB 1.300 30.801 29.460 0.068 0.000 1.235 345 W HN 0.784 nan 8.180 nan 0.000 0.479 346 D N 5.091 125.269 120.400 -0.370 0.000 2.483 346 D HA -0.057 4.583 4.640 0.000 0.000 0.220 346 D C 1.434 177.622 176.300 -0.187 0.000 1.173 346 D CA 0.172 54.106 54.000 -0.109 0.000 0.964 346 D CB 0.439 41.187 40.800 -0.087 0.000 1.046 346 D HN 0.611 nan 8.370 nan 0.000 0.517 347 E N 2.673 122.975 120.200 0.171 0.000 2.208 347 E HA -0.141 4.209 4.350 0.000 0.000 0.193 347 E C 1.232 177.940 176.600 0.181 0.000 0.988 347 E CA 0.420 56.989 56.400 0.282 0.000 0.828 347 E CB 0.082 30.049 29.700 0.446 0.000 0.763 347 E HN 0.338 nan 8.360 nan 0.000 0.478 348 R N 0.710 121.283 120.500 0.121 0.000 2.161 348 R HA 0.180 4.520 4.340 0.000 0.000 0.213 348 R C 0.446 176.875 176.300 0.214 0.000 1.055 348 R CA 0.608 56.733 56.100 0.042 0.000 0.996 348 R CB -0.035 30.042 30.300 -0.372 0.000 0.901 348 R HN 0.218 nan 8.270 nan 0.000 0.456 349 A N 0.775 123.764 122.820 0.281 0.000 2.089 349 A HA -0.204 4.116 4.320 0.000 0.000 0.260 349 A C -0.887 176.957 177.584 0.435 0.000 1.378 349 A CA 0.206 52.448 52.037 0.341 0.000 0.714 349 A CB -1.888 17.269 19.000 0.261 0.000 1.180 349 A HN 0.314 nan 8.150 nan 0.000 0.304 350 Y N 1.756 122.191 120.300 0.225 0.000 2.519 350 Y HA 0.696 5.244 4.550 -0.003 0.000 0.324 350 Y C -1.813 174.014 175.900 -0.122 0.000 1.214 350 Y CA -1.841 56.265 58.100 0.010 0.000 1.260 350 Y CB 1.250 39.652 38.460 -0.096 0.000 1.311 350 Y HN 0.453 nan 8.280 nan 0.000 0.505 351 P HA 0.096 nan 4.420 nan 0.000 0.285 351 P C -1.428 175.541 177.300 -0.551 0.000 1.259 351 P CA -0.166 62.568 63.100 -0.609 0.000 0.794 351 P CB 0.794 32.266 31.700 -0.380 0.000 0.940 352 W N 2.335 123.263 121.300 -0.620 0.000 2.689 352 W HA 0.500 5.155 4.660 -0.008 0.000 0.340 352 W C 1.539 178.041 176.519 -0.028 0.000 1.060 352 W CA -0.535 56.718 57.345 -0.154 0.000 1.218 352 W CB 2.019 31.592 29.460 0.189 0.000 1.410 352 W HN 0.332 nan 8.180 nan 0.000 0.528 353 R N 0.397 120.977 120.500 0.133 0.000 2.308 353 R HA 0.141 4.481 4.340 0.000 0.000 0.202 353 R C -0.222 176.254 176.300 0.294 0.000 0.898 353 R CA 0.748 56.935 56.100 0.145 0.000 1.046 353 R CB 0.497 30.713 30.300 -0.140 0.000 1.026 353 R HN 0.427 nan 8.270 nan 0.000 0.512 354 E N 0.213 120.598 120.200 0.308 0.000 2.460 354 E HA 0.270 4.620 4.350 0.000 0.000 0.277 354 E C -0.760 175.759 176.600 -0.136 0.000 1.010 354 E CA -0.690 55.805 56.400 0.158 0.000 0.838 354 E CB 1.232 31.040 29.700 0.180 0.000 1.448 354 E HN 0.033 nan 8.360 nan 0.000 0.462 355 E N -0.751 119.094 120.200 -0.592 0.000 9.140 355 E HA -0.177 4.173 4.350 0.000 0.000 0.500 355 E C -0.935 174.798 176.600 -1.445 0.000 1.410 355 E CA 0.421 56.286 56.400 -0.891 0.000 2.471 355 E CB -1.077 28.241 29.700 -0.636 0.000 1.023 355 E HN 0.333 nan 8.360 nan 0.000 0.270 356 F N 0.825 120.292 119.950 -0.804 0.000 2.384 356 F HA 0.335 4.882 4.527 0.034 0.000 0.338 356 F C 1.141 176.400 175.800 -0.902 0.000 1.103 356 F CA 0.101 57.725 58.000 -0.628 0.000 1.157 356 F CB 0.797 39.616 39.000 -0.302 0.000 1.167 356 F HN 0.142 nan 8.300 nan 0.000 0.529 357 H N 4.233 123.165 119.070 -0.229 0.000 2.727 357 H HA 0.372 4.923 4.556 -0.008 0.000 0.330 357 H C -1.245 173.848 175.328 -0.392 0.000 0.986 357 H CA -0.753 55.073 56.048 -0.369 0.000 1.251 357 H CB 1.665 31.043 29.762 -0.639 0.000 1.493 357 H HN 0.301 nan 8.280 nan 0.000 0.515 358 L N 4.647 125.753 121.223 -0.196 0.000 2.272 358 L HA 0.214 4.554 4.340 0.000 0.000 0.289 358 L C -0.379 176.550 176.870 0.099 0.000 1.032 358 L CA -0.342 54.428 54.840 -0.116 0.000 0.810 358 L CB 1.035 42.850 42.059 -0.406 0.000 1.205 358 L HN 0.362 nan 8.230 nan 0.000 0.422 359 L N 5.714 127.052 121.223 0.192 0.000 2.313 359 L HA 0.532 4.872 4.340 0.000 0.000 0.283 359 L C -2.121 174.952 176.870 0.338 0.000 1.013 359 L CA -1.832 53.153 54.840 0.242 0.000 0.816 359 L CB 1.421 43.534 42.059 0.089 0.000 1.236 359 L HN 0.356 nan 8.230 nan 0.000 0.419 360 P HA 0.082 nan 4.420 nan 0.000 0.268 360 P C -0.433 176.767 177.300 -0.167 0.000 1.205 360 P CA -0.159 62.789 63.100 -0.253 0.000 0.771 360 P CB 1.064 32.662 31.700 -0.170 0.000 0.858 361 K N 1.298 121.472 120.400 -0.377 0.000 2.107 361 K HA 0.146 4.466 4.320 0.000 0.000 0.251 361 K C 0.457 176.945 176.600 -0.187 0.000 1.012 361 K CA -0.536 55.569 56.287 -0.303 0.000 0.920 361 K CB 0.273 32.507 32.500 -0.443 0.000 1.033 361 K HN 0.396 nan 8.250 nan 0.000 0.478 362 E N 0.290 120.465 120.200 -0.042 0.000 2.529 362 E HA -0.057 4.294 4.350 0.000 0.000 0.259 362 E C 0.733 177.285 176.600 -0.079 0.000 0.966 362 E CA 1.700 58.090 56.400 -0.017 0.000 0.937 362 E CB -0.126 29.604 29.700 0.049 0.000 0.923 362 E HN 0.693 nan 8.360 nan 0.000 0.468 363 G N 2.727 111.486 108.800 -0.068 0.000 2.179 363 G HA2 -0.263 3.697 3.960 0.000 0.000 0.260 363 G HA3 -0.263 3.697 3.960 0.000 0.000 0.260 363 G C 0.112 174.900 174.900 -0.187 0.000 0.977 363 G CA 0.139 45.200 45.100 -0.064 0.000 0.641 363 G HN 0.577 nan 8.290 nan 0.000 0.533 364 V N 1.286 120.999 119.914 -0.335 0.000 2.455 364 V HA 0.564 4.684 4.120 0.000 0.000 0.273 364 V C 0.779 176.775 176.094 -0.164 0.000 1.045 364 V CA -0.103 61.961 62.300 -0.393 0.000 0.976 364 V CB 1.180 32.669 31.823 -0.557 0.000 0.993 364 V HN 0.356 nan 8.190 nan 0.000 0.475 365 R N 4.744 125.211 120.500 -0.054 0.000 2.393 365 R HA 0.805 5.145 4.340 0.000 0.000 0.310 365 R C -0.827 175.498 176.300 0.043 0.000 0.968 365 R CA -0.458 55.658 56.100 0.028 0.000 0.867 365 R CB 1.387 31.746 30.300 0.098 0.000 1.124 365 R HN 0.656 nan 8.270 nan 0.000 0.450 366 L N -1.354 119.895 121.223 0.044 0.000 2.403 366 L HA 0.713 5.053 4.340 0.000 0.000 0.253 366 L C -0.874 176.025 176.870 0.050 0.000 1.045 366 L CA -0.908 53.983 54.840 0.084 0.000 0.845 366 L CB 1.766 43.912 42.059 0.144 0.000 1.447 366 L HN 0.357 nan 8.230 nan 0.000 0.411 367 D N -0.098 120.346 120.400 0.074 0.000 2.404 367 D HA 0.461 5.101 4.640 0.000 0.000 0.267 367 D C -2.091 174.202 176.300 -0.011 0.000 1.194 367 D CA -1.907 52.104 54.000 0.018 0.000 0.910 367 D CB 1.554 42.393 40.800 0.065 0.000 1.090 367 D HN 0.300 nan 8.370 nan 0.000 0.511 368 P HA -0.251 nan 4.420 nan 0.000 0.218 368 P C 1.529 178.760 177.300 -0.115 0.000 1.165 368 P CA 1.435 64.362 63.100 -0.288 0.000 0.922 368 P CB 0.272 31.394 31.700 -0.964 0.000 0.794 369 S N -1.446 114.178 115.700 -0.126 0.000 2.365 369 S HA -0.189 4.281 4.470 0.000 0.000 0.225 369 S C 2.051 176.664 174.600 0.022 0.000 1.039 369 S CA 2.206 60.387 58.200 -0.033 0.000 1.033 369 S CB -1.065 62.118 63.200 -0.029 0.000 0.887 369 S HN 0.097 nan 8.310 nan 0.000 0.447 370 S N 1.181 116.914 115.700 0.055 0.000 2.406 370 S HA 0.030 4.500 4.470 0.000 0.000 0.228 370 S C 1.685 176.288 174.600 0.006 0.000 1.020 370 S CA 0.975 59.242 58.200 0.112 0.000 0.965 370 S CB -0.448 62.909 63.200 0.261 0.000 0.798 370 S HN 0.469 nan 8.310 nan 0.000 0.488 371 L N 2.050 123.304 121.223 0.052 0.000 2.093 371 L HA 0.036 4.376 4.340 0.000 0.000 0.208 371 L C 2.140 179.001 176.870 -0.014 0.000 1.085 371 L CA 1.441 56.290 54.840 0.014 0.000 0.755 371 L CB -0.699 41.465 42.059 0.174 0.000 0.904 371 L HN 0.105 nan 8.230 nan 0.000 0.435 372 V N -0.277 119.648 119.914 0.019 0.000 2.295 372 V HA -0.340 3.781 4.120 0.000 0.000 0.246 372 V C 2.604 178.688 176.094 -0.016 0.000 1.049 372 V CA 2.091 64.401 62.300 0.017 0.000 1.024 372 V CB -0.662 31.203 31.823 0.069 0.000 0.648 372 V HN 0.647 nan 8.190 nan 0.000 0.447 373 Q N -1.008 118.789 119.800 -0.005 0.000 2.124 373 Q HA -0.262 4.078 4.340 0.000 0.000 0.202 373 Q C 2.203 178.199 176.000 -0.007 0.000 0.977 373 Q CA 2.211 58.018 55.803 0.007 0.000 0.850 373 Q CB -0.244 28.518 28.738 0.040 0.000 0.901 373 Q HN 0.843 nan 8.270 nan 0.000 0.429 374 W N 0.739 121.836 121.300 -0.339 0.000 2.355 374 W HA -0.201 4.461 4.660 0.003 0.000 0.309 374 W C 1.340 177.729 176.519 -0.218 0.000 1.206 374 W CA 0.836 57.929 57.345 -0.419 0.000 1.284 374 W CB -0.134 28.705 29.460 -1.034 0.000 1.145 374 W HN 0.183 nan 8.180 nan 0.000 0.502 375 L N 1.190 122.183 121.223 -0.383 0.000 2.131 375 L HA -0.243 4.097 4.340 0.000 0.000 0.210 375 L C 1.734 178.403 176.870 -0.336 0.000 1.092 375 L CA 1.215 55.790 54.840 -0.441 0.000 0.759 375 L CB -0.941 40.983 42.059 -0.225 0.000 0.903 375 L HN 0.009 nan 8.230 nan 0.000 0.435 376 N N -0.300 118.275 118.700 -0.209 0.000 2.336 376 N HA 0.006 4.746 4.740 0.000 0.000 0.189 376 N C 0.664 176.098 175.510 -0.128 0.000 1.113 376 N CA 0.206 53.173 53.050 -0.137 0.000 0.858 376 N CB 0.168 38.619 38.487 -0.059 0.000 0.970 376 N HN 0.281 nan 8.380 nan 0.000 0.471 377 S N 0.310 115.902 115.700 -0.180 0.000 2.576 377 S HA 0.099 4.569 4.470 0.000 0.000 0.272 377 S C 1.186 175.716 174.600 -0.117 0.000 1.352 377 S CA -0.339 57.799 58.200 -0.103 0.000 1.021 377 S CB 1.325 64.503 63.200 -0.037 0.000 0.887 377 S HN 0.149 nan 8.310 nan 0.000 0.542 378 E N 1.578 121.753 120.200 -0.041 0.000 2.110 378 E HA -0.136 4.214 4.350 0.000 0.000 0.193 378 E C 2.349 178.927 176.600 -0.037 0.000 0.988 378 E CA 1.163 57.545 56.400 -0.031 0.000 0.804 378 E CB -0.484 29.218 29.700 0.003 0.000 0.745 378 E HN 0.833 nan 8.360 nan 0.000 0.458 379 A N 1.272 124.081 122.820 -0.017 0.000 1.908 379 A HA -0.237 4.083 4.320 0.000 0.000 0.218 379 A C 2.151 179.684 177.584 -0.085 0.000 1.181 379 A CA 1.731 53.776 52.037 0.013 0.000 0.627 379 A CB -0.418 18.676 19.000 0.157 0.000 0.818 379 A HN 0.202 nan 8.150 nan 0.000 0.445 380 M N -0.641 118.774 119.600 -0.309 0.000 2.132 380 M HA -0.123 4.357 4.480 0.000 0.000 0.263 380 M C 1.977 178.198 176.300 -0.131 0.000 1.065 380 M CA 1.636 56.721 55.300 -0.358 0.000 1.122 380 M CB -0.494 31.698 32.600 -0.679 0.000 1.365 380 M HN 0.380 nan 8.290 nan 0.000 0.411 381 Q N 0.339 120.066 119.800 -0.121 0.000 2.096 381 Q HA -0.224 4.116 4.340 0.000 0.000 0.204 381 Q C 2.159 178.136 176.000 -0.039 0.000 0.982 381 Q CA 1.882 57.643 55.803 -0.071 0.000 0.850 381 Q CB -0.902 27.797 28.738 -0.065 0.000 0.901 381 Q HN 0.659 nan 8.270 nan 0.000 0.422 382 K N -0.215 120.173 120.400 -0.020 0.000 2.097 382 K HA -0.211 4.109 4.320 0.000 0.000 0.205 382 K C 2.046 178.652 176.600 0.009 0.000 1.050 382 K CA 1.261 57.544 56.287 -0.007 0.000 0.938 382 K CB -0.116 32.393 32.500 0.016 0.000 0.718 382 K HN 0.191 nan 8.250 nan 0.000 0.442 383 H N 0.669 119.704 119.070 -0.058 0.000 2.290 383 H HA -0.130 4.426 4.556 -0.000 0.000 0.298 383 H C 1.864 177.144 175.328 -0.079 0.000 1.087 383 H CA 2.629 58.648 56.048 -0.047 0.000 1.291 383 H CB -0.302 29.443 29.762 -0.028 0.000 1.369 383 H HN 0.108 nan 8.280 nan 0.000 0.492 384 V N -0.935 118.928 119.914 -0.085 0.000 2.515 384 V HA -0.087 4.033 4.120 0.000 0.000 0.250 384 V C 2.469 178.475 176.094 -0.146 0.000 1.058 384 V CA 1.988 64.237 62.300 -0.084 0.000 1.064 384 V CB -0.690 31.196 31.823 0.105 0.000 0.675 384 V HN 0.212 nan 8.190 nan 0.000 0.461 385 R N 1.367 121.785 120.500 -0.135 0.000 2.081 385 R HA -0.086 4.255 4.340 0.000 0.000 0.235 385 R C 2.245 178.381 176.300 -0.274 0.000 1.131 385 R CA 2.500 58.495 56.100 -0.175 0.000 0.960 385 R CB -1.467 28.757 30.300 -0.126 0.000 0.856 385 R HN 0.608 nan 8.270 nan 0.000 0.436 386 T N 0.864 115.267 114.554 -0.252 0.000 2.737 386 T HA -0.053 4.297 4.350 0.000 0.000 0.265 386 T C 1.727 176.214 174.700 -0.354 0.000 1.038 386 T CA 1.550 63.498 62.100 -0.252 0.000 1.144 386 T CB -0.164 68.630 68.868 -0.125 0.000 0.866 386 T HN 0.136 nan 8.240 nan 0.000 0.434 387 L N -0.727 120.183 121.223 -0.523 0.000 2.056 387 L HA -0.030 4.310 4.340 0.000 0.000 0.207 387 L C 1.757 178.096 176.870 -0.885 0.000 1.078 387 L CA 1.376 55.752 54.840 -0.773 0.000 0.749 387 L CB -0.319 40.961 42.059 -1.300 0.000 0.901 387 L HN 0.332 nan 8.230 nan 0.000 0.433 388 Y N -1.832 118.224 120.300 -0.406 0.000 2.500 388 Y HA 0.270 4.827 4.550 0.010 0.000 0.246 388 Y C 1.307 176.475 175.900 -1.219 0.000 1.146 388 Y CA -1.089 56.554 58.100 -0.761 0.000 1.230 388 Y CB -0.114 38.123 38.460 -0.372 0.000 1.214 388 Y HN -0.021 nan 8.280 nan 0.000 0.526 389 R N 0.983 121.038 120.500 -0.742 0.000 3.614 389 R HA -0.289 4.051 4.340 0.000 0.000 0.542 389 R C -0.058 176.000 176.300 -0.403 0.000 0.241 389 R CA 2.088 57.816 56.100 -0.620 0.000 1.684 389 R CB -1.328 28.468 30.300 -0.840 0.000 0.889 389 R HN 0.445 nan 8.270 nan 0.000 0.611 390 D N -0.098 120.151 120.400 -0.252 0.000 2.696 390 D HA 0.142 4.782 4.640 0.000 0.000 0.269 390 D C 0.855 177.255 176.300 0.167 0.000 1.319 390 D CA -0.230 53.755 54.000 -0.024 0.000 0.826 390 D CB -0.121 40.708 40.800 0.049 0.000 1.086 390 D HN 0.192 nan 8.370 nan 0.000 0.481 391 F N 1.442 121.446 119.950 0.090 0.000 2.091 391 F HA -0.074 4.449 4.527 -0.006 0.000 0.299 391 F C 1.487 177.323 175.800 0.059 0.000 1.103 391 F CA 0.473 58.522 58.000 0.082 0.000 1.228 391 F CB -0.872 38.162 39.000 0.057 0.000 0.984 391 F HN 0.065 nan 8.300 nan 0.000 0.477 392 V N -3.979 116.083 119.914 0.247 0.000 3.078 392 V HA 0.481 4.601 4.120 0.000 0.000 0.311 392 V C -2.484 173.641 176.094 0.052 0.000 1.138 392 V CA -1.881 60.522 62.300 0.171 0.000 1.007 392 V CB 2.014 33.981 31.823 0.240 0.000 1.045 392 V HN -0.145 nan 8.190 nan 0.000 0.432 393 P HA 0.353 nan 4.420 nan 0.000 0.235 393 P C -0.630 176.299 177.300 -0.618 0.000 1.725 393 P CA 0.497 63.415 63.100 -0.304 0.000 0.894 393 P CB -0.582 30.915 31.700 -0.339 0.000 1.704 394 H N -1.175 117.848 119.070 -0.078 0.000 2.933 394 H HA 0.524 5.103 4.556 0.038 0.000 0.310 394 H C -1.165 174.147 175.328 -0.027 0.000 1.351 394 H CA -0.889 55.077 56.048 -0.137 0.000 1.137 394 H CB 0.871 30.449 29.762 -0.306 0.000 1.853 394 H HN -0.096 nan 8.280 nan 0.000 0.539 395 L N 2.034 123.402 121.223 0.241 0.000 2.318 395 L HA 0.466 4.807 4.340 0.000 0.000 0.277 395 L C -0.075 177.034 176.870 0.399 0.000 1.008 395 L CA -0.221 54.737 54.840 0.197 0.000 0.846 395 L CB 0.595 42.768 42.059 0.191 0.000 1.220 395 L HN 0.861 nan 8.230 nan 0.000 0.423 396 T N 1.076 115.751 114.554 0.201 0.000 2.847 396 T HA 0.235 4.585 4.350 0.000 0.000 0.279 396 T C 1.114 175.816 174.700 0.003 0.000 0.984 396 T CA -0.514 61.750 62.100 0.273 0.000 0.988 396 T CB 0.906 69.849 68.868 0.124 0.000 1.040 396 T HN 0.553 nan 8.240 nan 0.000 0.528 397 L N 0.711 121.926 121.223 -0.014 0.000 2.042 397 L HA -0.020 4.320 4.340 0.000 0.000 0.210 397 L C 2.645 179.415 176.870 -0.166 0.000 1.076 397 L CA 1.682 56.371 54.840 -0.251 0.000 0.749 397 L CB -0.981 41.045 42.059 -0.054 0.000 0.893 397 L HN 0.580 nan 8.230 nan 0.000 0.432 398 R N -0.774 119.677 120.500 -0.082 0.000 2.127 398 R HA -0.124 4.216 4.340 0.000 0.000 0.238 398 R C 2.111 178.356 176.300 -0.092 0.000 1.134 398 R CA 1.845 57.909 56.100 -0.060 0.000 0.975 398 R CB -0.793 29.491 30.300 -0.027 0.000 0.865 398 R HN 0.489 nan 8.270 nan 0.000 0.447 399 M N -0.411 119.074 119.600 -0.191 0.000 2.160 399 M HA -0.084 4.396 4.480 0.000 0.000 0.264 399 M C 2.114 178.365 176.300 -0.082 0.000 1.073 399 M CA 0.919 56.082 55.300 -0.228 0.000 1.142 399 M CB -0.388 31.930 32.600 -0.471 0.000 1.358 399 M HN -0.003 nan 8.290 nan 0.000 0.422 400 L N 1.157 122.277 121.223 -0.172 0.000 2.043 400 L HA -0.205 4.135 4.340 0.000 0.000 0.212 400 L C 2.058 178.858 176.870 -0.117 0.000 1.075 400 L CA 2.000 56.718 54.840 -0.203 0.000 0.752 400 L CB -0.646 41.123 42.059 -0.484 0.000 0.891 400 L HN 0.298 nan 8.230 nan 0.000 0.432 401 E N -0.563 119.577 120.200 -0.101 0.000 2.118 401 E HA -0.240 4.110 4.350 0.000 0.000 0.195 401 E C 1.986 178.610 176.600 0.039 0.000 0.992 401 E CA 1.413 57.797 56.400 -0.026 0.000 0.804 401 E CB -0.198 29.494 29.700 -0.013 0.000 0.741 401 E HN 0.553 nan 8.360 nan 0.000 0.458 402 R N 0.547 121.087 120.500 0.067 0.000 2.310 402 R HA 0.130 4.470 4.340 0.000 0.000 0.202 402 R C 0.358 176.756 176.300 0.163 0.000 0.933 402 R CA -0.059 56.115 56.100 0.124 0.000 1.054 402 R CB -0.064 30.331 30.300 0.159 0.000 0.985 402 R HN 0.123 nan 8.270 nan 0.000 0.489 403 L N 4.338 125.644 121.223 0.139 0.000 2.513 403 L HA 0.105 4.445 4.340 0.000 0.000 0.272 403 L C -1.882 175.105 176.870 0.193 0.000 1.187 403 L CA -1.541 53.396 54.840 0.162 0.000 0.895 403 L CB 0.107 42.219 42.059 0.089 0.000 1.147 403 L HN -0.202 nan 8.230 nan 0.000 0.483 404 P HA 0.165 nan 4.420 nan 0.000 0.281 404 P C -0.963 176.571 177.300 0.390 0.000 1.252 404 P CA -0.229 63.015 63.100 0.240 0.000 0.778 404 P CB 1.639 33.440 31.700 0.168 0.000 0.895 405 V N 4.944 125.026 119.914 0.280 0.000 2.443 405 V HA 0.359 4.479 4.120 0.000 0.000 0.293 405 V C 0.839 177.005 176.094 0.120 0.000 1.021 405 V CA -0.788 61.692 62.300 0.300 0.000 0.848 405 V CB 1.377 33.406 31.823 0.344 0.000 0.998 405 V HN 0.602 nan 8.190 nan 0.000 0.424 406 R N 3.754 124.234 120.500 -0.033 0.000 2.546 406 R HA 0.549 4.889 4.340 0.000 0.000 0.266 406 R C 0.910 177.115 176.300 -0.159 0.000 1.086 406 R CA -0.738 55.273 56.100 -0.148 0.000 1.160 406 R CB 1.043 31.164 30.300 -0.299 0.000 1.138 406 R HN 0.487 nan 8.270 nan 0.000 0.567 407 R N 0.399 120.850 120.500 -0.083 0.000 2.154 407 R HA -0.181 4.159 4.340 0.000 0.000 0.248 407 R C 1.604 177.828 176.300 -0.126 0.000 1.155 407 R CA 1.492 57.604 56.100 0.020 0.000 0.979 407 R CB -0.269 30.081 30.300 0.084 0.000 0.869 407 R HN 0.673 nan 8.270 nan 0.000 0.452 408 E N -0.060 119.909 120.200 -0.384 0.000 2.209 408 E HA -0.169 4.181 4.350 0.000 0.000 0.196 408 E C 1.303 177.688 176.600 -0.357 0.000 0.993 408 E CA 1.374 57.481 56.400 -0.488 0.000 0.819 408 E CB 0.075 29.285 29.700 -0.817 0.000 0.745 408 E HN 0.472 nan 8.360 nan 0.000 0.477 409 Y N -1.325 118.967 120.300 -0.013 0.000 2.539 409 Y HA 0.379 4.930 4.550 0.001 0.000 0.284 409 Y C 1.351 177.309 175.900 0.095 0.000 1.134 409 Y CA 0.296 58.422 58.100 0.044 0.000 1.251 409 Y CB 0.212 38.709 38.460 0.062 0.000 1.260 409 Y HN -0.126 nan 8.280 nan 0.000 0.528 410 G N -0.554 108.387 108.800 0.235 0.000 2.719 410 G HA2 0.482 4.442 3.960 0.000 0.000 0.298 410 G HA3 0.482 4.442 3.960 0.000 0.000 0.298 410 G C -2.207 172.803 174.900 0.183 0.000 1.411 410 G CA -0.476 44.738 45.100 0.191 0.000 0.991 410 G HN -0.065 nan 8.290 nan 0.000 0.509 411 F N 2.289 122.231 119.950 -0.013 0.000 2.561 411 F HA 0.535 5.062 4.527 0.000 0.000 0.313 411 F C -0.772 175.021 175.800 -0.011 0.000 1.126 411 F CA -0.948 57.047 58.000 -0.007 0.000 0.918 411 F CB 2.096 41.086 39.000 -0.017 0.000 1.199 411 F HN 0.498 nan 8.300 nan 0.000 0.444 412 H N 4.180 122.797 119.070 -0.755 0.000 2.517 412 H HA 0.337 4.893 4.556 -0.000 0.000 0.317 412 H C -0.086 174.863 175.328 -0.632 0.000 1.080 412 H CA 0.236 55.977 56.048 -0.512 0.000 1.301 412 H CB 1.421 30.948 29.762 -0.391 0.000 1.425 412 H HN 0.826 nan 8.280 nan 0.000 0.471 413 T N 0.000 114.595 114.554 0.068 0.000 3.816 413 T HA 0.000 4.350 4.350 0.000 0.000 0.228 413 T CA 0.000 62.196 62.100 0.160 0.000 1.349 413 T CB 0.000 68.988 68.868 0.200 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658